Chemical Properties of Riboflavin, 2',3',4',5'-tetrabutanoate (CAS 752-56-7)

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

InChI
InChI=1S/C33H44N4O10/c1-7-11-25(38)44-18-24(46-27(40)13-9-3)30(47-28(41)14-10-4)23(45-26(39)12-8-2)17-37-22-16-20(6)19(5)15-21(22)34-29-31(37)35-33(43)36-32(29)42/h15-16,23-24,30H,7-14,17-18H2,1-6H3,(H,36,42,43)
InChI Key
MJNIWUJSIGSWKK-UHFFFAOYSA-N
Formula
C33H44N4O10
SMILES
CCCC(=O)OCC(OC(=O)CCC)C(OC(=O)CCC)C(Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21)OC(=O)CCC
Molecular Weight1
656.72
CAS
752-56-7
Other Names
  • 7,8-Dimethyl-10-(d-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine 2,3,4,5-tetrabutyrate
  • Bituvitan
  • Eyekas
  • Hibon
  • Lacflavin
  • Riboflavin 2,3,4,5-tetrabutyrate
  • Ribolact
  • Viras
  • Wakaflavin L
  • Riboflavin tetrabutyrate
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 1.5529 Relay (1.0) Calculated Property
ΔfG° -668.64 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1768.53 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 198.66 kJ/mol Relay (1.0) Calculated Property
IE 8.35 eV Relay (1.0) Calculated Property
log10WS -6.08 Relay (1.0) Calculated Property
logPoct/wat 3.199 Crippen Calculated Property
McVol 494.570 ml/mol McGowan Calculated Property
Pc 103.71 kPa Relay (1.0-beta) Calculated Property
Tboil 862.48 K Relay (1.0) Calculated Property
Tc 1159.03 K Relay (1.0) Calculated Property
Tfus 409.49 K Relay (1.0) Calculated Property
Vc 1.812 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Riboflavin, 2',3',4',5'-tetraacetate. inosine-5'-monophosphate, TMS. xanthosine-5'-monophosphate, TMS. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Quinine, trimethylsilyl ether. Riboflavin, 2',3',4',5'-tetrapropanoate. Mephenesin, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. 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. Ergocristine.

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.