Chemical Properties of Riboflavin, 2',3',4',5'-tetrapropanoate (CAS 7652-80-4)

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)nc(O)c-2nc2cc(C)c(C)cc21)OC(=O)CC
Molecular Weight1
600.62
CAS
7652-80-4
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
ω 1.4513 Relay (1.0) Calculated Property
ΔfG° -654.72 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1722.60 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 199.82 kJ/mol Relay (1.0) Calculated Property
IE 8.65 eV Relay (1.0) Calculated Property
log10WS -5.20 Relay (1.0) Calculated Property
logPoct/wat 2.532 Crippen Calculated Property
McVol 438.210 ml/mol McGowan Calculated Property
Pc 647.60 kPa Relay (1.0-beta) Calculated Property
Tboil 818.90 K Relay (1.0) Calculated Property
Tc 1137.50 K Relay (1.0) Calculated Property
Tfus 456.13 K Relay (1.0) Calculated Property
Vc 1.602 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Nalmefene. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

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

Sources

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