ChemSpider 2D Image | (3beta,4beta,5alpha,6alpha,15beta,24S)-3,4,6,8,15-Pentahydroxycholestan-24-yl 5-O-(2,4-di-O-methylpentopyranosyl)-alpha-D-arabinofuranoside | C39H68O14

(3β,4β,5α,6α,15β,24S)-3,4,6,8,15-Pentahydroxycholestan-24-yl 5-O-(2,4-di-O-methylpentopyranosyl)-α-D-arabinofuranoside

  • Molecular FormulaC39H68O14
  • Average mass760.949 Da
  • Monoisotopic mass760.460938 Da
  • ChemSpider ID29216659

  • defined stereocentres - 17 of 21 defined stereocentres

More details:

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

(3β,4β,5α,6α,15β,24S)-3,4,6,8,15-Pentahydroxycholestan-24-yl 5-O-(2,4-di-O-methylpentopyranosyl)-α-D-arabinofuranoside [ACD/IUPAC Name]
(3β,4β,5α,6α,15β,24S)-3,4,6,8,15-Pentahydroxycholestan-24-yl-5-O-(2,4-di-O-methylpentopyranosyl)-α-D-arabinofuranosid [German] [ACD/IUPAC Name]
5-O-(2,4-Di-O-méthylpentopyranosyl)-α-D-arabinofuranoside de (3β,4β,5α,6α,15β,24S)-3,4,6,8,15-pentahydroxycholestan-24-yle [French] [ACD/IUPAC Name]
α-D-Arabinofuranoside, (3β,4β,5α,6α,15β,24S)-3,4,6,8,15-pentahydroxycholestan-24-yl 5-O-(2,4-di-O-methylpentopyranosyl)- [ACD/Index Name]
crossasteroside P4

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

Density: 1.3±0.1 g/cm3
Boiling Point: 872.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.1±6.0 kJ/mol
Flash Point: 481.6±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 192.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.98
ACD/KOC (pH 5.5): 139.86
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.98
ACD/KOC (pH 7.4): 139.86
Polar Surface Area: 217 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 577.1±5.0 cm3

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