Chemical Properties of Riboflavin, 2',3',4',5'-tetrapropanoate

Riboflavin, 2',3',4',5'-tetrapropanoate

InChI
InChI=1S/C29H36N4O10/c1-7-21(34)40-14-20(42-23(36)9-3)26(43-24(37)10-4)19(41-22(35)8-2)13-33-18-12-16(6)15(5)11-17(18)30-25-27(33)31-29(39)32-28(25)38/h11-12,19-20,26H,7-10,13-14H2,1-6H3,(H,32,38,39)
InChI Key
SHKSLTFASOOBHE-UHFFFAOYSA-N
Formula
C29H36N4O10
SMILES
CCC(=O)OCC(OC(=O)CC)C(OC(=O)CC)C(Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21)OC(=O)CC
Molecular Weight1
600.63
Other Names
  • Riboflavine, 2',3',4',5'-tetrapropionate
  • Riboflavin tetrapropionate
  • Riboflavine tetrapropionate
  • Riboflavine, 2',3',4',5'-tetrapropanoate
  • Vitamin B2 tetrapropionate
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Physical Properties

Property Value Unit Source
IE 8.57 eV Relay (1.0) Calculated Property
log10WS -4.72 Relay (1.0) Calculated Property
logPoct/wat 1.638 Crippen Calculated Property
McVol 438.210 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Riboflavin, 2',3',4',5'-tetrabutanoate. Riboflavin, 2',3',4',5'-tetraacetate. xanthosine-5'-monophosphate, TMS. inosine-5'-monophosphate, TMS. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Quinine, trimethylsilyl ether. Methyldesorphine. Ajmaline. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. DIHYDROERGOTAMINE. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Vincamine. Prajmaline. Ethylmorphine, trimethylsilyl ether. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate.

Find more compounds similar to Riboflavin, 2',3',4',5'-tetrapropanoate.

Sources

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