Hmdb loader
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-03-23 04:28:58 UTC
Update Date2022-03-07 03:17:56 UTC
HMDB IDHMDB0062576
Secondary Accession Numbers
  • HMDB62576
Metabolite Identification
Common Name5-phospho-beta-D-ribosylaminium(1-)
Description[(5-amino-3,4-dihydroxyoxolan-2-yl)methoxy]phosphonic acid belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. Based on a literature review very few articles have been published on [(5-amino-3,4-dihydroxyoxolan-2-yl)methoxy]phosphonic acid.
Structure
Data?1563866331
Synonyms
ValueSource
[(5-Amino-3,4-dihydroxyoxolan-2-yl)methoxy]phosphonateGenerator
5-Phospho-b-D-ribosylaminium(1-)Generator
5-Phospho-β-D-ribosylaminium(1-)Generator
Chemical FormulaC5H12NO7P
Average Molecular Weight229.125
Monoisotopic Molecular Weight229.035138728
IUPAC Name[(5-amino-3,4-dihydroxyoxolan-2-yl)methoxy]phosphonic acid
Traditional Namephosphoribosylamine
CAS Registry NumberNot Available
SMILES
NC1OC(COP(O)(O)=O)C(O)C1O
InChI Identifier
InChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)
InChI KeySKCBPEVYGOQGJN-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPentose phosphates
Alternative Parents
Substituents
  • Pentose phosphate
  • Pentose-5-phosphate
  • Monosaccharide phosphate
  • Monoalkyl phosphate
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Tetrahydrofuran
  • Secondary alcohol
  • 1,2-diol
  • Hemiaminal
  • Organoheterocyclic compound
  • Oxacycle
  • Alcohol
  • Organic oxide
  • Organopnictogen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility65.5 g/lALOGPS
LogP-1.46ALOGPS
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-2.4ALOGPS
logP-3.5ChemAxon
logS-0.78ALOGPS
pKa (Strongest Acidic)1.23ChemAxon
pKa (Strongest Basic)8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area142.47 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity42.49 m³·mol⁻¹ChemAxon
Polarizability18.52 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+145.36630932474
DeepCCS[M-H]-142.9730932474
DeepCCS[M-2H]-178.69630932474
DeepCCS[M+Na]+154.01130932474
AllCCS[M+H]+150.032859911
AllCCS[M+H-H2O]+146.232859911
AllCCS[M+NH4]+153.632859911
AllCCS[M+Na]+154.632859911
AllCCS[M-H]-140.632859911
AllCCS[M+Na-2H]-141.232859911
AllCCS[M+HCOO]-142.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
5-phospho-beta-D-ribosylaminium(1-)NC1OC(COP(O)(O)=O)C(O)C1O2840.9Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-)NC1OC(COP(O)(O)=O)C(O)C1O2035.6Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-)NC1OC(COP(O)(O)=O)C(O)C1O2200.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
5-phospho-beta-D-ribosylaminium(1-),1TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N)C1O2162.6Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),1TMS,isomer #2C[Si](C)(C)OC1C(N)OC(COP(=O)(O)O)C1O2175.3Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),1TMS,isomer #3C[Si](C)(C)OP(=O)(O)OCC1OC(N)C(O)C1O2172.5Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),1TMS,isomer #4C[Si](C)(C)NC1OC(COP(=O)(O)O)C(O)C1O2288.3Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),2TMS,isomer #1C[Si](C)(C)OC1C(N)OC(COP(=O)(O)O)C1O[Si](C)(C)C2160.4Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),2TMS,isomer #2C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N)C1O2191.7Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),2TMS,isomer #3C[Si](C)(C)NC1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O2257.7Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),2TMS,isomer #4C[Si](C)(C)OC1C(N)OC(COP(=O)(O)O[Si](C)(C)C)C1O2199.1Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),2TMS,isomer #5C[Si](C)(C)NC1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C2243.1Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),2TMS,isomer #6C[Si](C)(C)OP(=O)(OCC1OC(N)C(O)C1O)O[Si](C)(C)C2158.3Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),2TMS,isomer #7C[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O2297.2Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),2TMS,isomer #8C[Si](C)(C)N(C1OC(COP(=O)(O)O)C(O)C1O)[Si](C)(C)C2339.2Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #1C[Si](C)(C)OC1C(N)OC(COP(=O)(O)O[Si](C)(C)C)C1O[Si](C)(C)C2207.8Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #1C[Si](C)(C)OC1C(N)OC(COP(=O)(O)O[Si](C)(C)C)C1O[Si](C)(C)C2081.9Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #1C[Si](C)(C)OC1C(N)OC(COP(=O)(O)O[Si](C)(C)C)C1O[Si](C)(C)C2925.9Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #10C[Si](C)(C)OP(=O)(O)OCC1OC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O2338.6Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #10C[Si](C)(C)OP(=O)(O)OCC1OC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O2304.5Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #10C[Si](C)(C)OP(=O)(O)OCC1OC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O2913.7Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #2C[Si](C)(C)NC1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2244.7Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #2C[Si](C)(C)NC1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2211.0Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #2C[Si](C)(C)NC1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2912.3Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N)C1O2195.9Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N)C1O2103.8Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N)C1O2854.8Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #4C[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2295.0Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #4C[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2192.5Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #4C[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2804.8Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #5C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O2317.2Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #5C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O2294.9Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #5C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O3085.4Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #6C[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O2199.5Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #6C[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O2150.4Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #6C[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O2848.7Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #7C[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2278.1Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #7C[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2228.6Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #7C[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2785.6Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #8C[Si](C)(C)OC1C(O)C(COP(=O)(O)O)OC1N([Si](C)(C)C)[Si](C)(C)C2317.9Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #8C[Si](C)(C)OC1C(O)C(COP(=O)(O)O)OC1N([Si](C)(C)C)[Si](C)(C)C2302.6Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #8C[Si](C)(C)OC1C(O)C(COP(=O)(O)O)OC1N([Si](C)(C)C)[Si](C)(C)C3090.6Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #9C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O2289.3Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #9C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O2252.5Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #9C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O2681.1Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #1C[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C2200.0Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #1C[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C2151.5Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #1C[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C2677.8Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #2C[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2282.8Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #2C[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2268.7Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #2C[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2526.5Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C2288.6Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C2341.4Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C2751.8Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #4C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2287.0Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #4C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2299.5Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #4C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2484.1Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #5C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O2290.9Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #5C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O2340.8Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #5C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O2690.0Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #6C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2271.7Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #6C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2342.6Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #6C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2478.4Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #7C[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C)OC1N([Si](C)(C)C)[Si](C)(C)C2295.7Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #7C[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C)OC1N([Si](C)(C)C)[Si](C)(C)C2358.8Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #7C[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C)OC1N([Si](C)(C)C)[Si](C)(C)C2694.7Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #8C[Si](C)(C)OP(=O)(OCC1OC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C2310.6Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #8C[Si](C)(C)OP(=O)(OCC1OC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C2400.3Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #8C[Si](C)(C)OP(=O)(OCC1OC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C2599.3Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #1C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2278.3Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #1C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2324.0Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #1C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2294.6Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #2C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C2282.3Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #2C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C2348.7Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #2C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C2457.5Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O2297.1Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O2408.4Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #3C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O2436.5Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #4C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N([Si](C)(C)C)[Si](C)(C)C2300.3Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #4C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N([Si](C)(C)C)[Si](C)(C)C2423.7Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #4C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N([Si](C)(C)C)[Si](C)(C)C2442.1Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),6TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C2298.1Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),6TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C2400.2Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),6TMS,isomer #1C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C2278.9Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(N)C1O2423.0Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O)O)C1O2431.2Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N)C(O)C1O2407.6Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O)C(O)C1O2512.5Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O)O)C1O[Si](C)(C)C(C)(C)C2629.7Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N)C1O2643.3Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O2714.7Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C1O2646.8Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C(C)(C)C2696.8Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N)C(O)C1O)O[Si](C)(C)C(C)(C)C2610.0Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O2732.5Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C1OC(COP(=O)(O)O)C(O)C1O)[Si](C)(C)C(C)(C)C2754.4Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2847.8Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2721.5Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3093.8Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C1O2982.9Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C1O2916.1Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C1O3117.3Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2861.8Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2865.9Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3133.5Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N)C1O2851.5Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N)C1O2712.6Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N)C1O3033.9Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O2949.9Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O2835.9Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3033.9Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O2947.2Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O2940.6Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O3238.6Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O2838.0Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O2758.7Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O3014.5Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C2921.1Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C2854.8Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3019.9Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)O)OC1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2940.0Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)O)OC1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2944.1Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)O)OC1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3243.9Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O2950.5Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O2844.1Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O2947.0Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3022.7Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2892.1Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2947.5Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3093.7Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3034.5Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2877.7Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3108.3Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3112.1Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3005.6Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3129.7Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3042.6Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O2847.0Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O3164.5Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O3111.7Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O2955.9Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3107.7Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3068.5Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C2843.2Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3148.4Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3117.9Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2961.0Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C3166.8Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C3127.0Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C2908.5Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3253.4Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3179.6Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2791.2Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3316.3Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3231.7Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2862.4Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O3310.7Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O3256.9Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O2848.4Standard polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3300.1Semi standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3262.1Standard non polar33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2857.2Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (Non-derivatized) - 70eV, Positivesplash10-01ot-9200000000-7ebbedc677677910c9ad2021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TBDMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TBDMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TBDMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TBDMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TBDMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TBDMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 10V, Positive-QTOFsplash10-001i-2490000000-23f2f835f8e7cb767f602019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 20V, Positive-QTOFsplash10-01qa-8940000000-f56855aba948a97277582019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 40V, Positive-QTOFsplash10-0005-9000000000-c61f58a14af585f8d9cb2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 10V, Negative-QTOFsplash10-004i-9050000000-398054c67ebb760adb562019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 20V, Negative-QTOFsplash10-004i-9000000000-b59769ff8311cdc9ad5d2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 40V, Negative-QTOFsplash10-004i-9000000000-35e6b85ade345c9d5a902019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 10V, Negative-QTOFsplash10-004i-8090000000-2ebfcb2a817d0e5198a22021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 20V, Negative-QTOFsplash10-004i-9000000000-a5e502a2627af2048a1f2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 40V, Negative-QTOFsplash10-004i-9000000000-a5e502a2627af2048a1f2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 10V, Positive-QTOFsplash10-03e9-0900000000-a28a2870d14f9b514efa2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 20V, Positive-QTOFsplash10-03yi-2900000000-3f959957fd3503d8f28b2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 40V, Positive-QTOFsplash10-052b-9000000000-69bd1484fc7665f256af2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
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 IDNot Available
KNApSAcK IDNot Available
Chemspider ID145
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound150
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available