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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-08-12 18:44:06 UTC
Update Date2021-09-14 15:38:59 UTC
HMDB IDHMDB0003335
Secondary Accession Numbers
  • HMDB03335
Metabolite Identification
Common NameIDP
DescriptionIDP, also known as riboxin or 5'-IDP, belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety. An inosine nucleotide containing a pyrophosphate group esterified to C5 of the sugar moiety. IDP is a moderately basic compound (based on its pKa). IDP exists in all living species, ranging from bacteria to humans. Within humans, IDP participates in a number of enzymatic reactions. In particular, IDP can be converted into inosinic acid; which is catalyzed by the enzyme ectonucleoside triphosphate diphosphohydrolase 8. In addition, IDP can be converted into inosine triphosphate; which is mediated by the enzyme nucleoside diphosphate kinase 6. In humans, IDP is involved in the metabolic disorder called the gout or kelley-seegmiller syndrome pathway.
Structure
Data?1582752271
Synonyms
ValueSource
5'-IDPHMDB
Inosine 5'-(trihydrogen diphosphate)HMDB
Inosine 5'-(trihydrogen pyrophosphate)HMDB
Inosine 5'-diphosphateHMDB
Inosine 5'-pyrophosphateHMDB
Inosine diphosphateHMDB
Inosine pyrophosphateHMDB
RiboxinHMDB
RiboxineHMDB
Diphosphate, inosineHMDB
Pyrophosphate, inosineHMDB
Chemical FormulaC10H14N4O11P2
Average Molecular Weight428.1859
Monoisotopic Molecular Weight428.013430334
IUPAC Name[({[(2R,3S,4R)-3,4-dihydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Traditional Name{[(2R,3S,4R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid
CAS Registry Number86-04-4
SMILES
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)OC([C@@H]1O)N1C=NC2=C1NC=NC2=O
InChI Identifier
InChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10?/m1/s1
InChI KeyJPXZQMKKFWMMGK-VTHZCTBJSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassPurine ribonucleotides
Direct ParentPurine ribonucleoside diphosphates
Alternative Parents
Substituents
  • Purine ribonucleoside diphosphate
  • Purine ribonucleoside monophosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • 6-oxopurine
  • Hypoxanthine
  • Monosaccharide phosphate
  • Organic pyrophosphate
  • Imidazopyrimidine
  • Purine
  • Monoalkyl phosphate
  • Pyrimidone
  • Pyrimidine
  • Alkyl phosphate
  • Phosphoric acid ester
  • Monosaccharide
  • Organic phosphoric acid derivative
  • N-substituted imidazole
  • Tetrahydrofuran
  • Vinylogous amide
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • 1,2-diol
  • Secondary alcohol
  • Organoheterocyclic compound
  • Azacycle
  • Oxacycle
  • Organooxygen compound
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect

Adverse health effect

Disposition

Biological location

Source

Route of exposure

Process

Naturally occurring process

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Not Available176.133http://allccs.zhulab.cn/database/detail?ID=AllCCS00000133
[M+H]+Not Available186.018http://allccs.zhulab.cn/database/detail?ID=AllCCS00000133
Predicted Molecular Properties
PropertyValueSource
Water Solubility4.26 g/LALOGPS
logP10(-0.99) g/LALOGPS
logP10(-3.6) g/LChemAxon
logS10(-2) g/LALOGPS
pKa (Strongest Acidic)2.65ChemAxon
pKa (Strongest Basic)1.73ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area222.26 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity82.64 m³·mol⁻¹ChemAxon
Polarizability33.75 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+191.55831661259
DarkChem[M-H]-181.53531661259

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
IDPO[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)OC([C@@H]1O)N1C=NC2=C1NC=NC2=O4365.1Standard polar33892256
IDPO[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)OC([C@@H]1O)N1C=NC2=C1NC=NC2=O2342.3Standard non polar33892256
IDPO[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)OC([C@@H]1O)N1C=NC2=C1NC=NC2=O3960.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
IDP,1TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O3411.4Semi standard non polar33892256
IDP,1TMS,isomer #2C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H]1O3402.1Semi standard non polar33892256
IDP,1TMS,isomer #3C[Si](C)(C)OP(=O)(OC[C@H]1OC(N2C=NC3=C2[NH]C=NC3=O)[C@H](O)[C@@H]1O)OP(=O)(O)O3467.8Semi standard non polar33892256
IDP,1TMS,isomer #4C[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1OC(N2C=NC3=C2[NH]C=NC3=O)[C@H](O)[C@@H]1O3448.6Semi standard non polar33892256
IDP,1TMS,isomer #5C[Si](C)(C)N1C=NC(=O)C2=C1N(C1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O)C=N23504.7Semi standard non polar33892256
IDP,2TMS,isomer #1C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H]1O[Si](C)(C)C3298.7Semi standard non polar33892256
IDP,2TMS,isomer #10C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1OC(N2C=NC3=C2[NH]C=NC3=O)[C@H](O)[C@@H]1O3385.9Semi standard non polar33892256
IDP,2TMS,isomer #11C[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O3481.6Semi standard non polar33892256
IDP,2TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O3353.5Semi standard non polar33892256
IDP,2TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O3342.0Semi standard non polar33892256
IDP,2TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1O3412.9Semi standard non polar33892256
IDP,2TMS,isomer #5C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@H]1O3341.5Semi standard non polar33892256
IDP,2TMS,isomer #6C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@H]1O3332.6Semi standard non polar33892256
IDP,2TMS,isomer #7C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H]1O3414.1Semi standard non polar33892256
IDP,2TMS,isomer #8C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1OC(N2C=NC3=C2[NH]C=NC3=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C3382.2Semi standard non polar33892256
IDP,2TMS,isomer #9C[Si](C)(C)OP(=O)(OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O)OP(=O)(O)O3491.4Semi standard non polar33892256
IDP,3TMS,isomer #1C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@H]1O[Si](C)(C)C3266.2Semi standard non polar33892256
IDP,3TMS,isomer #1C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@H]1O[Si](C)(C)C3551.7Standard non polar33892256
IDP,3TMS,isomer #1C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@H]1O[Si](C)(C)C5063.4Standard polar33892256
IDP,3TMS,isomer #10C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O3298.9Semi standard non polar33892256
IDP,3TMS,isomer #10C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O3632.6Standard non polar33892256
IDP,3TMS,isomer #10C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O4960.6Standard polar33892256
IDP,3TMS,isomer #11C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@H]1O3402.4Semi standard non polar33892256
IDP,3TMS,isomer #11C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@H]1O3659.2Standard non polar33892256
IDP,3TMS,isomer #11C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@H]1O5273.0Standard polar33892256
IDP,3TMS,isomer #12C[Si](C)(C)OP(=O)(OC[C@H]1OC(N2C=NC3=C2[NH]C=NC3=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3348.7Semi standard non polar33892256
IDP,3TMS,isomer #12C[Si](C)(C)OP(=O)(OC[C@H]1OC(N2C=NC3=C2[NH]C=NC3=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3698.4Standard non polar33892256
IDP,3TMS,isomer #12C[Si](C)(C)OP(=O)(OC[C@H]1OC(N2C=NC3=C2[NH]C=NC3=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4687.1Standard polar33892256
IDP,3TMS,isomer #13C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C3470.0Semi standard non polar33892256
IDP,3TMS,isomer #13C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C3730.7Standard non polar33892256
IDP,3TMS,isomer #13C[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C5016.0Standard polar33892256
IDP,3TMS,isomer #14C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O3474.6Semi standard non polar33892256
IDP,3TMS,isomer #14C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O3719.3Standard non polar33892256
IDP,3TMS,isomer #14C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O5039.6Standard polar33892256
IDP,3TMS,isomer #2C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3265.7Semi standard non polar33892256
IDP,3TMS,isomer #2C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3548.2Standard non polar33892256
IDP,3TMS,isomer #2C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C5127.9Standard polar33892256
IDP,3TMS,isomer #3C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H]1O[Si](C)(C)C3362.6Semi standard non polar33892256
IDP,3TMS,isomer #3C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H]1O[Si](C)(C)C3556.8Standard non polar33892256
IDP,3TMS,isomer #3C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H]1O[Si](C)(C)C5405.9Standard polar33892256
IDP,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O3304.2Semi standard non polar33892256
IDP,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O3642.1Standard non polar33892256
IDP,3TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O4859.2Standard polar33892256
IDP,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1O3396.2Semi standard non polar33892256
IDP,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1O3657.7Standard non polar33892256
IDP,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1O5146.3Standard polar33892256
IDP,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O3304.0Semi standard non polar33892256
IDP,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O3627.3Standard non polar33892256
IDP,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O4883.0Standard polar33892256
IDP,3TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1O3398.4Semi standard non polar33892256
IDP,3TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1O3658.8Standard non polar33892256
IDP,3TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1O5204.3Standard polar33892256
IDP,3TMS,isomer #8C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@H]1O3297.6Semi standard non polar33892256
IDP,3TMS,isomer #8C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@H]1O3647.7Standard non polar33892256
IDP,3TMS,isomer #8C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@H]1O4942.6Standard polar33892256
IDP,3TMS,isomer #9C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@H]1O3400.6Semi standard non polar33892256
IDP,3TMS,isomer #9C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@H]1O3661.0Standard non polar33892256
IDP,3TMS,isomer #9C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@H]1O5226.8Standard polar33892256
IDP,4TMS,isomer #1C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3276.8Semi standard non polar33892256
IDP,4TMS,isomer #1C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3528.0Standard non polar33892256
IDP,4TMS,isomer #1C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4607.8Standard polar33892256
IDP,4TMS,isomer #10C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O3428.8Semi standard non polar33892256
IDP,4TMS,isomer #10C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O3595.5Standard non polar33892256
IDP,4TMS,isomer #10C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O4790.2Standard polar33892256
IDP,4TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3481.1Semi standard non polar33892256
IDP,4TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C3673.4Standard non polar33892256
IDP,4TMS,isomer #11C[Si](C)(C)OP(=O)(OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C4550.2Standard polar33892256
IDP,4TMS,isomer #2C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@H]1O[Si](C)(C)C3381.1Semi standard non polar33892256
IDP,4TMS,isomer #2C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@H]1O[Si](C)(C)C3523.3Standard non polar33892256
IDP,4TMS,isomer #2C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)[C@H]1O[Si](C)(C)C4884.2Standard polar33892256
IDP,4TMS,isomer #3C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3274.7Semi standard non polar33892256
IDP,4TMS,isomer #3C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3510.5Standard non polar33892256
IDP,4TMS,isomer #3C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4608.5Standard polar33892256
IDP,4TMS,isomer #4C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3395.4Semi standard non polar33892256
IDP,4TMS,isomer #4C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3519.3Standard non polar33892256
IDP,4TMS,isomer #4C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4948.3Standard polar33892256
IDP,4TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O3300.5Semi standard non polar33892256
IDP,4TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O3600.9Standard non polar33892256
IDP,4TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O4369.8Standard polar33892256
IDP,4TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1O3421.8Semi standard non polar33892256
IDP,4TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1O3603.8Standard non polar33892256
IDP,4TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1O4708.6Standard polar33892256
IDP,4TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1O3420.7Semi standard non polar33892256
IDP,4TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1O3584.8Standard non polar33892256
IDP,4TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1O4718.4Standard polar33892256
IDP,4TMS,isomer #8C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O3298.8Semi standard non polar33892256
IDP,4TMS,isomer #8C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O3612.3Standard non polar33892256
IDP,4TMS,isomer #8C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O4457.1Standard polar33892256
IDP,4TMS,isomer #9C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@H]1O3429.9Semi standard non polar33892256
IDP,4TMS,isomer #9C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@H]1O3612.9Standard non polar33892256
IDP,4TMS,isomer #9C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@H]1O4786.0Standard polar33892256
IDP,5TMS,isomer #1C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3304.3Semi standard non polar33892256
IDP,5TMS,isomer #1C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3464.2Standard non polar33892256
IDP,5TMS,isomer #1C[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4161.5Standard polar33892256
IDP,5TMS,isomer #2C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3412.8Semi standard non polar33892256
IDP,5TMS,isomer #2C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3468.8Standard non polar33892256
IDP,5TMS,isomer #2C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4478.6Standard polar33892256
IDP,5TMS,isomer #3C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3412.3Semi standard non polar33892256
IDP,5TMS,isomer #3C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3455.2Standard non polar33892256
IDP,5TMS,isomer #3C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4473.1Standard polar33892256
IDP,5TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1O3438.3Semi standard non polar33892256
IDP,5TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1O3521.8Standard non polar33892256
IDP,5TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)[C@@H]1O4258.3Standard polar33892256
IDP,5TMS,isomer #5C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O3444.9Semi standard non polar33892256
IDP,5TMS,isomer #5C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O3538.2Standard non polar33892256
IDP,5TMS,isomer #5C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O4335.5Standard polar33892256
IDP,6TMS,isomer #1C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3448.5Semi standard non polar33892256
IDP,6TMS,isomer #1C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3394.5Standard non polar33892256
IDP,6TMS,isomer #1C[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4075.2Standard polar33892256
IDP,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O3647.5Semi standard non polar33892256
IDP,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H]1O3644.7Semi standard non polar33892256
IDP,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1OC(N2C=NC3=C2[NH]C=NC3=O)[C@H](O)[C@@H]1O)OP(=O)(O)O3687.6Semi standard non polar33892256
IDP,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1OC(N2C=NC3=C2[NH]C=NC3=O)[C@H](O)[C@@H]1O3675.5Semi standard non polar33892256
IDP,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1C=NC(=O)C2=C1N(C1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O)C=N23756.6Semi standard non polar33892256
IDP,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C3707.1Semi standard non polar33892256
IDP,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1OC(N2C=NC3=C2[NH]C=NC3=O)[C@H](O)[C@@H]1O3780.0Semi standard non polar33892256
IDP,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O3928.6Semi standard non polar33892256
IDP,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O3755.0Semi standard non polar33892256
IDP,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O3738.4Semi standard non polar33892256
IDP,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@@H]1O3888.5Semi standard non polar33892256
IDP,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@H]1O3754.3Semi standard non polar33892256
IDP,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O3740.5Semi standard non polar33892256
IDP,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H]1O3887.1Semi standard non polar33892256
IDP,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1OC(N2C=NC3=C2[NH]C=NC3=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C3772.4Semi standard non polar33892256
IDP,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O)OP(=O)(O)O3934.7Semi standard non polar33892256
IDP,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C3852.8Semi standard non polar33892256
IDP,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C4050.8Standard non polar33892256
IDP,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C5175.2Standard polar33892256
IDP,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O3879.3Semi standard non polar33892256
IDP,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O4116.4Standard non polar33892256
IDP,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O5091.2Standard polar33892256
IDP,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O4030.1Semi standard non polar33892256
IDP,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O4145.8Standard non polar33892256
IDP,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O5352.2Standard polar33892256
IDP,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1OC(N2C=NC3=C2[NH]C=NC3=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3907.0Semi standard non polar33892256
IDP,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1OC(N2C=NC3=C2[NH]C=NC3=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4152.1Standard non polar33892256
IDP,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1OC(N2C=NC3=C2[NH]C=NC3=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4859.3Standard polar33892256
IDP,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C4051.4Semi standard non polar33892256
IDP,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C4190.6Standard non polar33892256
IDP,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C5135.6Standard polar33892256
IDP,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O4060.5Semi standard non polar33892256
IDP,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O4163.2Standard non polar33892256
IDP,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O5160.0Standard polar33892256
IDP,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3838.7Semi standard non polar33892256
IDP,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4058.4Standard non polar33892256
IDP,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C5233.3Standard polar33892256
IDP,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C3990.4Semi standard non polar33892256
IDP,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C4057.9Standard non polar33892256
IDP,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C5440.5Standard polar33892256
IDP,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O3872.5Semi standard non polar33892256
IDP,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O4138.9Standard non polar33892256
IDP,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O4993.2Standard polar33892256
IDP,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@@H]1O4023.6Semi standard non polar33892256
IDP,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@@H]1O4137.4Standard non polar33892256
IDP,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@@H]1O5242.3Standard polar33892256
IDP,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O3876.5Semi standard non polar33892256
IDP,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O4103.4Standard non polar33892256
IDP,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O5023.5Standard polar33892256
IDP,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@@H]1O4021.9Semi standard non polar33892256
IDP,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@@H]1O4139.9Standard non polar33892256
IDP,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@@H]1O5296.1Standard polar33892256
IDP,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O3874.2Semi standard non polar33892256
IDP,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O4153.8Standard non polar33892256
IDP,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O5070.6Standard polar33892256
IDP,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@H]1O4030.1Semi standard non polar33892256
IDP,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@H]1O4143.4Standard non polar33892256
IDP,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@H]1O5309.0Standard polar33892256
IDP,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4023.7Semi standard non polar33892256
IDP,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4097.4Standard non polar33892256
IDP,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4751.2Standard polar33892256
IDP,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O4159.1Semi standard non polar33892256
IDP,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O4152.9Standard non polar33892256
IDP,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O4878.7Standard polar33892256
IDP,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4185.9Semi standard non polar33892256
IDP,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4194.9Standard non polar33892256
IDP,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@H](O)[C@@H]1O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4676.1Standard polar33892256
IDP,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C4134.5Semi standard non polar33892256
IDP,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C4096.6Standard non polar33892256
IDP,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C4963.1Standard polar33892256
IDP,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4022.8Semi standard non polar33892256
IDP,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4063.2Standard non polar33892256
IDP,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4766.2Standard polar33892256
IDP,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4130.7Semi standard non polar33892256
IDP,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4100.4Standard non polar33892256
IDP,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C5028.7Standard polar33892256
IDP,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O4037.2Semi standard non polar33892256
IDP,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O4132.4Standard non polar33892256
IDP,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2[NH]C=NC3=O)[C@@H]1O4552.4Standard polar33892256
IDP,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@@H]1O4156.0Semi standard non polar33892256
IDP,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@@H]1O4166.7Standard non polar33892256
IDP,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@@H]1O4802.7Standard polar33892256
IDP,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@@H]1O4155.4Semi standard non polar33892256
IDP,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@@H]1O4131.5Standard non polar33892256
IDP,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)[C@@H]1O4820.7Standard polar33892256
IDP,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O4048.2Semi standard non polar33892256
IDP,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O4155.7Standard non polar33892256
IDP,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2[NH]C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O4620.4Standard polar33892256
IDP,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O4159.8Semi standard non polar33892256
IDP,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O4188.9Standard non polar33892256
IDP,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@H]1C(N2C=NC3=C2N([Si](C)(C)C(C)(C)C)C=NC3=O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O4869.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - IDP GC-MS (Non-derivatized) - 70eV, Positivesplash10-004j-5921200000-cb3e90eac1de45dd3a4e2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - IDP GC-MS (2 TMS) - 70eV, Positivesplash10-00dj-6196320000-10d043c734c7c3ce7c2a2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - IDP GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - IDP 10V, Positive-QTOFsplash10-000i-0912300000-f3c8f35d649e8697a8222015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - IDP 20V, Positive-QTOFsplash10-000i-0900000000-ca4a6257fe76c4c2b1b62015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - IDP 40V, Positive-QTOFsplash10-000i-1900000000-dc3cba7ebcc788b0e4f42015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - IDP 10V, Negative-QTOFsplash10-004r-0901700000-160329f90c3b441088982015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - IDP 20V, Negative-QTOFsplash10-002r-4900000000-0c688018e117d889609e2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - IDP 40V, Negative-QTOFsplash10-004i-9200000000-40b03ca399bfd471c5f42015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - IDP 10V, Positive-QTOFsplash10-000i-0900100000-e46bcfbea9982a491f2f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - IDP 20V, Positive-QTOFsplash10-000i-0900000000-6648b1702dcbb13557692021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - IDP 40V, Positive-QTOFsplash10-000i-0900000000-341580e528f6c4446ef32021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - IDP 10V, Negative-QTOFsplash10-004i-0003900000-17daa435aa0818f02bb72021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - IDP 20V, Negative-QTOFsplash10-0570-8900000000-d5a169484ed0b980f6c92021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - IDP 40V, Negative-QTOFsplash10-004i-9100000000-a6ce726895863b9360732021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Mitochondria
  • Nucleus
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023146
KNApSAcK IDNot Available
Chemspider ID559208
KEGG Compound IDC00104
BioCyc IDNot Available
BiGG ID33869
Wikipedia LinkIDP
METLIN ID6892
PubChem Compound644173
PDB IDNot Available
ChEBI ID17808
Food Biomarker OntologyNot Available
VMH IDIDP
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceTakada, Masao; Kashiwa, Kenichi. Nucleoside 5'-pyrophosphates. Jpn. Tokkyo Koho (1971), 3 pp. CODEN: JAXXAD JP 46021587 19710618 Showa. CAN 75:130076 AN 1971:530076 CAPLUS
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Hlushko LV, Makovets'ka TI, Neiko IeM: [The dynamics of the glycocholic acid content of the bile in patients with chronic inactive hepatitis]. Lik Sprava. 1995 May-Jun;(5-6):152-4. [PubMed:8630789 ]

Only showing the first 10 proteins. There are 31 proteins in total.

Enzymes

General function:
Involved in hydrolase activity
Specific function:
In the nervous system, could hydrolyze ATP and other nucleotides to regulate purinergic neurotransmission. Could also be implicated in the prevention of platelet aggregation by hydrolyzing platelet-activating ADP to AMP. Hydrolyzes ATP and ADP equally well.
Gene Name:
ENTPD1
Uniprot ID:
P49961
Molecular weight:
58706.0
Reactions
Inosine triphosphate + Water → IDP + Phosphatedetails
IDP + Water → Inosinic acid + Phosphatedetails
General function:
Involved in calcium ion binding
Specific function:
Calcium-dependent nucleotidase with a preference for UDP. The order of activity with different substrates is UDP > GDP > UTP > GTP. Has very low activity towards ADP and even lower activity towards ATP. Does not hydrolyze AMP and GMP. Involved in proteoglycan synthesis.
Gene Name:
CANT1
Uniprot ID:
Q8WVQ1
Molecular weight:
44839.24
Reactions
IDP + Water → Inosinic acid + Phosphatedetails
General function:
Involved in hydrolase activity
Specific function:
Has a threefold preference for the hydrolysis of ATP over ADP.
Gene Name:
ENTPD3
Uniprot ID:
O75355
Molecular weight:
59104.76
Reactions
Inosine triphosphate + Water → IDP + Phosphatedetails
IDP + Water → Inosinic acid + Phosphatedetails
General function:
Involved in ATP binding
Specific function:
Phosphorylates uridine and cytidine to uridine monophosphate and cytidine monophosphate. Does not phosphorylate deoxyribonucleosides or purine ribonucleosides. Can use ATP or GTP as a phosphate donor. Can also phosphorylate cytidine and uridine nucleoside analogs such as 6-azauridine, 5-fluorouridine, 4-thiouridine, 5-bromouridine, N(4)-acetylcytidine, N(4)-benzoylcytidine, 5-fluorocytidine, 2-thiocytidine, 5-methylcytidine, and N(4)-anisoylcytidine.
Gene Name:
UCK1
Uniprot ID:
Q9HA47
Molecular weight:
22760.43
Reactions
Inosine triphosphate + Cytidine → IDP + Cytidine monophosphatedetails
Inosine triphosphate + Uridine → IDP + Uridine 5'-monophosphatedetails
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP (By similarity).
Gene Name:
NME4
Uniprot ID:
O00746
Molecular weight:
20658.45
Reactions
Adenosine triphosphate + IDP → ADP + Inosine triphosphatedetails
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP. Possesses nucleoside-diphosphate kinase, serine/threonine-specific protein kinase, geranyl and farnesyl pyrophosphate kinase, histidine protein kinase and 3'-5' exonuclease activities. Involved in cell proliferation, differentiation and development, signal transduction, G protein-coupled receptor endocytosis, and gene expression. Required for neural development including neural patterning and cell fate determination.
Gene Name:
NME1
Uniprot ID:
P15531
Molecular weight:
17148.635
Reactions
Adenosine triphosphate + IDP → ADP + Inosine triphosphatedetails
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP. The ATP gamma phosphate is transferred to the NDP beta phosphate via a ping-pong mechanism, using a phosphorylated active-site intermediate.
Gene Name:
NME7
Uniprot ID:
Q9Y5B8
Molecular weight:
42491.365
Reactions
Adenosine triphosphate + IDP → ADP + Inosine triphosphatedetails
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP. Negatively regulates Rho activity by interacting with AKAP13/LBC. Acts as a transcriptional activator of the MYC gene; binds DNA non-specifically (PubMed:8392752). Exhibits histidine protein kinase activity.
Gene Name:
NME2
Uniprot ID:
P22392
Molecular weight:
30136.92
Reactions
Adenosine triphosphate + IDP → ADP + Inosine triphosphatedetails
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP. The ATP gamma phosphate is transferred to the NDP beta phosphate via a ping-pong mechanism, using a phosphorylated active-site intermediate. Probably has a role in normal hematopoiesis by inhibition of granulocyte differentiation and induction of apoptosis.
Gene Name:
NME3
Uniprot ID:
Q13232
Molecular weight:
19014.85
Reactions
Adenosine triphosphate + IDP → ADP + Inosine triphosphatedetails
General function:
Involved in nucleoside diphosphate kinase activity
Specific function:
Major role in the synthesis of nucleoside triphosphates other than ATP. The ATP gamma phosphate is transferred to the NDP beta phosphate via a ping-pong mechanism, using a phosphorylated active-site intermediate. Inhibitor of p53-induced apoptosis.
Gene Name:
NME6
Uniprot ID:
O75414
Molecular weight:
22002.965
Reactions
Adenosine triphosphate + IDP → ADP + Inosine triphosphatedetails

Only showing the first 10 proteins. There are 31 proteins in total.