ChemSpider 2D Image | 2K1S9MWK7X | C25H28N4O10

2K1S9MWK7X

  • Molecular FormulaC25H28N4O10
  • Average mass544.511 Da
  • Monoisotopic mass544.180542 Da
  • ChemSpider ID8091018

  • 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-acetyl-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-acetyl-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-acétyl-1-désoxy-1-(7,8-diméthyl-2,4-dioxo-3,4-dihydrobenzo[g]ptéridin-10(2H)-yl)-D-ribitol [French] [ACD/IUPAC Name]
212-032-4 [EINECS]
2K1S9MWK7X
752-13-6 [RN]
D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-, 2,3,4,5-tetraacetate [ACD/Index Name]
riboflavin tetraacetate
[(1S,2S,3R)-2,3,4-triacetoxy-1-[(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)methyl]butyl] acetate
[(2S,3S,4R)-3,4,5-triacetyloxy-1-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)pentan-2-yl] acetate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.620
Molar Refractivity: 132.8±0.5 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.65
ACD/KOC (pH 5.5): 176.28
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.61
ACD/KOC (pH 7.4): 175.64
Polar Surface Area: 179 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 378.2±7.0 cm3

Click to predict properties on the Chemicalize site


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