Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:31:32 UTC
Update Date2022-03-07 02:52:13 UTC
HMDB IDHMDB0029619
Secondary Accession Numbers
  • HMDB29619
Metabolite Identification
Common NameArabinopyranobiose
DescriptionArabinopyranobiose, also known as 4-oxopyrimidine, 29A, belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Based on a literature review very few articles have been published on Arabinopyranobiose.
Structure
Data?1582753442
Synonyms
ValueSource
4-Oxopyrimidine, 29aHMDB
Chemical FormulaC10H18O9
Average Molecular Weight282.2445
Monoisotopic Molecular Weight282.095082174
IUPAC Name2-[(2,3,5-trihydroxyoxan-4-yl)oxy]oxane-3,4,5-triol
Traditional Name2-[(2,3,5-trihydroxyoxan-4-yl)oxy]oxane-3,4,5-triol
CAS Registry Number20546-04-7
SMILES
OC1COC(OC2C(O)COC(O)C2O)C(O)C1O
InChI Identifier
InChI=1S/C10H18O9/c11-3-1-18-10(6(14)5(3)13)19-8-4(12)2-17-9(16)7(8)15/h3-16H,1-2H2
InChI KeyFVPQAMUWCNJRQW-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentO-glycosyl compounds
Alternative Parents
Substituents
  • O-glycosyl compound
  • Disaccharide
  • Oxane
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Acetal
  • Hydrocarbon derivative
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility1000000 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility625 g/LALOGPS
logP-3.1ALOGPS
logP-3.4ChemAxon
logS0.34ALOGPS
pKa (Strongest Acidic)11.27ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area149.07 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity56.41 m³·mol⁻¹ChemAxon
Polarizability25.78 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+163.27431661259
DarkChem[M-H]-156.46731661259
DeepCCS[M+H]+156.67630932474
DeepCCS[M-H]-154.31830932474
DeepCCS[M-2H]-187.61330932474
DeepCCS[M+Na]+162.76930932474
AllCCS[M+H]+165.332859911
AllCCS[M+H-H2O]+161.832859911
AllCCS[M+NH4]+168.632859911
AllCCS[M+Na]+169.532859911
AllCCS[M-H]-160.532859911
AllCCS[M+Na-2H]-160.332859911
AllCCS[M+HCOO]-160.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
ArabinopyranobioseOC1COC(OC2C(O)COC(O)C2O)C(O)C1O3308.9Standard polar33892256
ArabinopyranobioseOC1COC(OC2C(O)COC(O)C2O)C(O)C1O2660.9Standard non polar33892256
ArabinopyranobioseOC1COC(OC2C(O)COC(O)C2O)C(O)C1O2316.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Arabinopyranobiose,1TMS,isomer #1C[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O)C(O)C1O2592.4Semi standard non polar33892256
Arabinopyranobiose,1TMS,isomer #2C[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O)C(O)C1O2596.2Semi standard non polar33892256
Arabinopyranobiose,1TMS,isomer #3C[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O2551.0Semi standard non polar33892256
Arabinopyranobiose,1TMS,isomer #4C[Si](C)(C)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1O2569.2Semi standard non polar33892256
Arabinopyranobiose,1TMS,isomer #5C[Si](C)(C)OC1C(OC2C(O)COC(O)C2O)OCC(O)C1O2552.7Semi standard non polar33892256
Arabinopyranobiose,1TMS,isomer #6C[Si](C)(C)OC1C(O)COC(OC2C(O)COC(O)C2O)C1O2538.2Semi standard non polar33892256
Arabinopyranobiose,2TMS,isomer #1C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)COC(O)C2O)C(O)C1O2541.3Semi standard non polar33892256
Arabinopyranobiose,2TMS,isomer #10C[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C1O2518.8Semi standard non polar33892256
Arabinopyranobiose,2TMS,isomer #11C[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C1O2521.2Semi standard non polar33892256
Arabinopyranobiose,2TMS,isomer #12C[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O[Si](C)(C)C2548.7Semi standard non polar33892256
Arabinopyranobiose,2TMS,isomer #13C[Si](C)(C)OC1C(O)COC(OC2C(O)COC(O)C2O[Si](C)(C)C)C1O2518.1Semi standard non polar33892256
Arabinopyranobiose,2TMS,isomer #14C[Si](C)(C)OC1C(OC2C(O)COC(O)C2O[Si](C)(C)C)OCC(O)C1O2518.0Semi standard non polar33892256
Arabinopyranobiose,2TMS,isomer #15C[Si](C)(C)OC1C(O)COC(OC2C(O)COC(O)C2O)C1O[Si](C)(C)C2504.4Semi standard non polar33892256
Arabinopyranobiose,2TMS,isomer #2C[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C)C2O)C(O)C1O2539.5Semi standard non polar33892256
Arabinopyranobiose,2TMS,isomer #3C[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O[Si](C)(C)C)C(O)C1O2542.8Semi standard non polar33892256
Arabinopyranobiose,2TMS,isomer #4C[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O)C(O[Si](C)(C)C)C1O2498.4Semi standard non polar33892256
Arabinopyranobiose,2TMS,isomer #5C[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O)C(O)C1O[Si](C)(C)C2522.3Semi standard non polar33892256
Arabinopyranobiose,2TMS,isomer #6C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O)C1OC1OCC(O)C(O)C1O2546.6Semi standard non polar33892256
Arabinopyranobiose,2TMS,isomer #7C[Si](C)(C)OC1COC(O)C(O[Si](C)(C)C)C1OC1OCC(O)C(O)C1O2547.1Semi standard non polar33892256
Arabinopyranobiose,2TMS,isomer #8C[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O)C(O[Si](C)(C)C)C1O2507.7Semi standard non polar33892256
Arabinopyranobiose,2TMS,isomer #9C[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O)C(O)C1O[Si](C)(C)C2522.0Semi standard non polar33892256
Arabinopyranobiose,3TMS,isomer #1C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)COC(O[Si](C)(C)C)C2O)C(O)C1O2529.1Semi standard non polar33892256
Arabinopyranobiose,3TMS,isomer #10C[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2504.0Semi standard non polar33892256
Arabinopyranobiose,3TMS,isomer #11C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OCC(O)C(O)C1O2538.6Semi standard non polar33892256
Arabinopyranobiose,3TMS,isomer #12C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O)C1OC1OCC(O)C(O[Si](C)(C)C)C1O2528.9Semi standard non polar33892256
Arabinopyranobiose,3TMS,isomer #13C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O)C1OC1OCC(O)C(O)C1O[Si](C)(C)C2520.4Semi standard non polar33892256
Arabinopyranobiose,3TMS,isomer #14C[Si](C)(C)OC1COC(O)C(O[Si](C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C)C1O2508.6Semi standard non polar33892256
Arabinopyranobiose,3TMS,isomer #15C[Si](C)(C)OC1COC(O)C(O[Si](C)(C)C)C1OC1OCC(O)C(O)C1O[Si](C)(C)C2490.9Semi standard non polar33892256
Arabinopyranobiose,3TMS,isomer #16C[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2474.5Semi standard non polar33892256
Arabinopyranobiose,3TMS,isomer #17C[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O2483.9Semi standard non polar33892256
Arabinopyranobiose,3TMS,isomer #18C[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C2524.4Semi standard non polar33892256
Arabinopyranobiose,3TMS,isomer #19C[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C2531.0Semi standard non polar33892256
Arabinopyranobiose,3TMS,isomer #2C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)COC(O)C2O[Si](C)(C)C)C(O)C1O2507.0Semi standard non polar33892256
Arabinopyranobiose,3TMS,isomer #20C[Si](C)(C)OC1C(O)COC(OC2C(O)COC(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C2483.5Semi standard non polar33892256
Arabinopyranobiose,3TMS,isomer #3C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)COC(O)C2O)C(O[Si](C)(C)C)C1O2485.2Semi standard non polar33892256
Arabinopyranobiose,3TMS,isomer #4C[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2524.0Semi standard non polar33892256
Arabinopyranobiose,3TMS,isomer #5C[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O2532.0Semi standard non polar33892256
Arabinopyranobiose,3TMS,isomer #6C[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O2499.8Semi standard non polar33892256
Arabinopyranobiose,3TMS,isomer #7C[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C2530.0Semi standard non polar33892256
Arabinopyranobiose,3TMS,isomer #8C[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2489.3Semi standard non polar33892256
Arabinopyranobiose,3TMS,isomer #9C[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2507.4Semi standard non polar33892256
Arabinopyranobiose,4TMS,isomer #1C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)COC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O2433.9Semi standard non polar33892256
Arabinopyranobiose,4TMS,isomer #10C[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2448.1Semi standard non polar33892256
Arabinopyranobiose,4TMS,isomer #11C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C)C1O2412.2Semi standard non polar33892256
Arabinopyranobiose,4TMS,isomer #12C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OCC(O)C(O)C1O[Si](C)(C)C2419.4Semi standard non polar33892256
Arabinopyranobiose,4TMS,isomer #13C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O)C1OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2416.6Semi standard non polar33892256
Arabinopyranobiose,4TMS,isomer #14C[Si](C)(C)OC1COC(O)C(O[Si](C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2433.0Semi standard non polar33892256
Arabinopyranobiose,4TMS,isomer #15C[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C2429.6Semi standard non polar33892256
Arabinopyranobiose,4TMS,isomer #2C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)COC(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O2436.6Semi standard non polar33892256
Arabinopyranobiose,4TMS,isomer #3C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O)C1OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2451.0Semi standard non polar33892256
Arabinopyranobiose,4TMS,isomer #4C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)COC(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2454.0Semi standard non polar33892256
Arabinopyranobiose,4TMS,isomer #5C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)COC(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2455.1Semi standard non polar33892256
Arabinopyranobiose,4TMS,isomer #6C[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2448.7Semi standard non polar33892256
Arabinopyranobiose,4TMS,isomer #7C[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2449.7Semi standard non polar33892256
Arabinopyranobiose,4TMS,isomer #8C[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2471.9Semi standard non polar33892256
Arabinopyranobiose,4TMS,isomer #9C[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2433.0Semi standard non polar33892256
Arabinopyranobiose,5TMS,isomer #1C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)COC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2337.8Semi standard non polar33892256
Arabinopyranobiose,5TMS,isomer #2C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)COC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2353.6Semi standard non polar33892256
Arabinopyranobiose,5TMS,isomer #3C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O)C1OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2362.2Semi standard non polar33892256
Arabinopyranobiose,5TMS,isomer #4C[Si](C)(C)OC1COC(O)C(O[Si](C)(C)C)C1OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2366.2Semi standard non polar33892256
Arabinopyranobiose,5TMS,isomer #5C[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2374.5Semi standard non polar33892256
Arabinopyranobiose,5TMS,isomer #6C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2315.1Semi standard non polar33892256
Arabinopyranobiose,6TMS,isomer #1C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2295.1Semi standard non polar33892256
Arabinopyranobiose,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O)C(O)C1O2836.6Semi standard non polar33892256
Arabinopyranobiose,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O)C(O)C1O2848.9Semi standard non polar33892256
Arabinopyranobiose,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O2814.5Semi standard non polar33892256
Arabinopyranobiose,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1O2832.7Semi standard non polar33892256
Arabinopyranobiose,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(OC2C(O)COC(O)C2O)OCC(O)C1O2812.4Semi standard non polar33892256
Arabinopyranobiose,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(O)COC(O)C2O)C1O2814.4Semi standard non polar33892256
Arabinopyranobiose,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)COC(O)C2O)C(O)C1O3025.1Semi standard non polar33892256
Arabinopyranobiose,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1O2982.4Semi standard non polar33892256
Arabinopyranobiose,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1O2997.6Semi standard non polar33892256
Arabinopyranobiose,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O[Si](C)(C)C(C)(C)C3017.7Semi standard non polar33892256
Arabinopyranobiose,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(O)COC(O)C2O[Si](C)(C)C(C)(C)C)C1O2993.6Semi standard non polar33892256
Arabinopyranobiose,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1C(OC2C(O)COC(O)C2O[Si](C)(C)C(C)(C)C)OCC(O)C1O3005.4Semi standard non polar33892256
Arabinopyranobiose,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(O)COC(O)C2O)C1O[Si](C)(C)C(C)(C)C2994.8Semi standard non polar33892256
Arabinopyranobiose,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O3010.4Semi standard non polar33892256
Arabinopyranobiose,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3018.1Semi standard non polar33892256
Arabinopyranobiose,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O2997.7Semi standard non polar33892256
Arabinopyranobiose,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3009.1Semi standard non polar33892256
Arabinopyranobiose,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1COC(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OCC(O)C(O)C1O3015.9Semi standard non polar33892256
Arabinopyranobiose,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1COC(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O)C1O3019.4Semi standard non polar33892256
Arabinopyranobiose,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O3008.4Semi standard non polar33892256
Arabinopyranobiose,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C3003.8Semi standard non polar33892256
Arabinopyranobiose,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)COC(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O3204.7Semi standard non polar33892256
Arabinopyranobiose,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3172.5Semi standard non polar33892256
Arabinopyranobiose,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1COC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O)C1O3165.5Semi standard non polar33892256
Arabinopyranobiose,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1COC(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O3183.7Semi standard non polar33892256
Arabinopyranobiose,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1COC(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C3184.2Semi standard non polar33892256
Arabinopyranobiose,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1COC(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O3182.5Semi standard non polar33892256
Arabinopyranobiose,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1COC(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C3157.9Semi standard non polar33892256
Arabinopyranobiose,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3164.0Semi standard non polar33892256
Arabinopyranobiose,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O3176.9Semi standard non polar33892256
Arabinopyranobiose,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1O[Si](C)(C)C(C)(C)C3179.2Semi standard non polar33892256
Arabinopyranobiose,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3176.2Semi standard non polar33892256
Arabinopyranobiose,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)COC(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3194.6Semi standard non polar33892256
Arabinopyranobiose,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(O)COC(O)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3170.5Semi standard non polar33892256
Arabinopyranobiose,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)COC(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3186.2Semi standard non polar33892256
Arabinopyranobiose,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3189.6Semi standard non polar33892256
Arabinopyranobiose,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3194.7Semi standard non polar33892256
Arabinopyranobiose,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3196.8Semi standard non polar33892256
Arabinopyranobiose,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C3191.5Semi standard non polar33892256
Arabinopyranobiose,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3185.6Semi standard non polar33892256
Arabinopyranobiose,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3187.0Semi standard non polar33892256
Arabinopyranobiose,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)COC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O3335.2Semi standard non polar33892256
Arabinopyranobiose,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3366.0Semi standard non polar33892256
Arabinopyranobiose,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1COC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O3331.2Semi standard non polar33892256
Arabinopyranobiose,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1COC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C3306.5Semi standard non polar33892256
Arabinopyranobiose,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1COC(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3361.7Semi standard non polar33892256
Arabinopyranobiose,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1COC(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3364.8Semi standard non polar33892256
Arabinopyranobiose,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3367.8Semi standard non polar33892256
Arabinopyranobiose,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)COC(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O3378.9Semi standard non polar33892256
Arabinopyranobiose,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1COC(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3371.9Semi standard non polar33892256
Arabinopyranobiose,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)COC(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3371.6Semi standard non polar33892256
Arabinopyranobiose,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)COC(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3379.6Semi standard non polar33892256
Arabinopyranobiose,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3344.5Semi standard non polar33892256
Arabinopyranobiose,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3380.1Semi standard non polar33892256
Arabinopyranobiose,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3372.6Semi standard non polar33892256
Arabinopyranobiose,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3360.8Semi standard non polar33892256
Arabinopyranobiose,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)COC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3467.5Semi standard non polar33892256
Arabinopyranobiose,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)COC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3468.2Semi standard non polar33892256
Arabinopyranobiose,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1COC(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3481.8Semi standard non polar33892256
Arabinopyranobiose,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1COC(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3485.7Semi standard non polar33892256
Arabinopyranobiose,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3493.4Semi standard non polar33892256
Arabinopyranobiose,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1COC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3455.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Arabinopyranobiose GC-MS (Non-derivatized) - 70eV, Positivesplash10-0ht9-3390000000-921535b98919991732d92017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Arabinopyranobiose GC-MS (5 TMS) - 70eV, Positivesplash10-004i-2221039000-748dac76fe8cbe2186632017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Arabinopyranobiose 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 - Arabinopyranobiose 10V, Positive-QTOFsplash10-00lr-0490000000-58d396d2d0abdb6191262016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arabinopyranobiose 20V, Positive-QTOFsplash10-00lr-0950000000-a6defa13680b0e88a58e2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arabinopyranobiose 40V, Positive-QTOFsplash10-0fz9-8910000000-741a37a11e228626248c2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arabinopyranobiose 10V, Negative-QTOFsplash10-001i-1290000000-ca740044f4ed4e06f23c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arabinopyranobiose 20V, Negative-QTOFsplash10-01qa-2950000000-61f0446990b7e5188a422016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arabinopyranobiose 40V, Negative-QTOFsplash10-0006-9300000000-59517e35a27fadf06fc32016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arabinopyranobiose 10V, Positive-QTOFsplash10-00lr-0590000000-7d310c7a4465ede9840e2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arabinopyranobiose 20V, Positive-QTOFsplash10-02au-9700000000-454a5715c6b6cf4a9a5b2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arabinopyranobiose 40V, Positive-QTOFsplash10-014i-7900000000-cd5895098bbaadb6826e2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arabinopyranobiose 10V, Negative-QTOFsplash10-001i-1980000000-d84c0836a79b8d60af352021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arabinopyranobiose 20V, Negative-QTOFsplash10-0a4l-9520000000-3befc69a6f63d08b4b3f2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arabinopyranobiose 40V, Negative-QTOFsplash10-052f-9200000000-81696d4b6e4733a5e3542021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
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 IDFDB000789
KNApSAcK IDC00054672
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound12442732
PDB IDNot Available
ChEBI ID174682
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1810651
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .