ChemSpider 2D Image | (3beta,4beta,5alpha,6beta,14xi,15alpha)-4,6,8,15,24-Pentahydroxycholestan-3-yl 2,3,4-tri-O-methyl-beta-D-xylopyranoside | C35H62O10

(3β,4β,5α,6β,14ξ,15α)-4,6,8,15,24-Pentahydroxycholestan-3-yl 2,3,4-tri-O-methyl-β-D-xylopyranoside

  • Molecular FormulaC35H62O10
  • Average mass642.861 Da
  • Monoisotopic mass642.434326 Da
  • ChemSpider ID29213320

  • defined stereocentres - 13 of 17 defined stereocentres

More details:

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

(3β,4β,5α,6β,14ξ,15α)-4,6,8,15,24-Pentahydroxycholestan-3-yl 2,3,4-tri-O-methyl-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,4β,5α,6β,14ξ,15α)-4,6,8,15,24-Pentahydroxycholestan-3-yl-2,3,4-tri-O-methyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
2,3,4-Tri-O-méthyl-β-D-xylopyranoside de (3β,4β,5α,6β,14ξ,15α)-4,6,8,15,24-pentahydroxycholestan-3-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,4β,5α,6β,14ξ,15α)-4,6,8,15,24-pentahydroxycholestan-3-yl 2,3,4-tri-O-methyl- [ACD/Index Name]
sanguinoside B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 728.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.4±6.0 kJ/mol
Flash Point: 394.2±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 170.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.40
ACD/KOC (pH 5.5): 753.52
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.40
ACD/KOC (pH 7.4): 753.52
Polar Surface Area: 147 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 532.1±5.0 cm3

Click to predict properties on the Chemicalize site


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