ChemSpider 2D Image | Riboflavin Tetrabutyrate | C33H44N4O10

Riboflavin Tetrabutyrate

  • Molecular FormulaC33H44N4O10
  • Average mass656.723 Da
  • Monoisotopic mass656.305725 Da
  • ChemSpider ID83186

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,3,4,5-Tetra-O-butyryl-1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol [ACD/IUPAC Name]
2,3,4,5-Tetra-O-butyryl-1-desoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol [German] [ACD/IUPAC Name]
2,3,4,5-Tétra-O-butyryl-1-désoxy-1-(7,8-diméthyl-2,4-dioxo-3,4-dihydrobenzo[g]ptéridin-10(2H)-yl)-D-ribitol [French] [ACD/IUPAC Name]
752-56-7 [RN]
D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-, 2,3,4,5-tetrabutanoate [ACD/Index Name]
Hibon [Trade name]
Riboflavin Tetrabutyrate
(2R,3S,4S)-1,2,4-TRIS(BUTANOYLOXY)-5-{7,8-DIMETHYL-2,4-DIOXO-2H,3H,4H,10H-BENZO[G]PTERIDIN-10-YL}PENTAN-3-YL BUTANOATE
(2R,3S,4S)-1,2,4-TRIS(BUTANOYLOXY)-5-{7,8-DIMETHYL-2,4-DIOXO-3H-BENZO[G]PTERIDIN-10-YL}PENTAN-3-YL BUTANOATE
[(1S,2S,3R)-2,3,4-tri(butanoyloxy)-1-[(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)methyl]butyl] butanoate
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

F211C9MSGY [DBID]
AIDS001651 [DBID]
AIDS-001651 [DBID]
CCRIS 5849 [DBID]
D01913 [DBID]
UNII:F211C9MSGY [DBID]
UNII-F211C9MSGY [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.585
Molar Refractivity: 169.7±0.5 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1842.64
ACD/KOC (pH 5.5): 7568.22
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1835.26
ACD/KOC (pH 7.4): 7537.88
Polar Surface Area: 179 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 506.3±7.0 cm3

Click to predict properties on the Chemicalize site


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