ChemSpider 2D Image | (3beta,6beta,9xi,14xi,15alpha,16beta)-6,8,15,16,26-Pentahydroxycholest-4-en-3-yl 2-O-methyl-beta-D-xylopyranoside | C33H56O10

(3β,6β,9ξ,14ξ,15α,16β)-6,8,15,16,26-Pentahydroxycholest-4-en-3-yl 2-O-methyl-β-D-xylopyranoside

  • Molecular FormulaC33H56O10
  • Average mass612.792 Da
  • Monoisotopic mass612.387329 Da
  • ChemSpider ID10031640

  • defined stereocentres - 13 of 16 defined stereocentres

More details:

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

(3β,6β,9ξ,14ξ,15α,16β)-6,8,15,16,26-Pentahydroxycholest-4-en-3-yl 2-O-methyl-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,6β,9ξ,14ξ,15α,16β)-6,8,15,16,26-Pentahydroxycholest-4-en-3-yl-2-O-methyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
2-O-Méthyl-β-D-xylopyranoside de (3β,6β,9ξ,14ξ,15α,16β)-6,8,15,16,26-pentahydroxycholest-4-én-3-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,6β,9ξ,14ξ,15α,16β)-6,8,15,16,26-pentahydroxycholest-4-en-3-yl 2-O-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 759.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.2±6.0 kJ/mol
Flash Point: 413.0±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 160.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.73
ACD/KOC (pH 5.5): 304.78
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.73
ACD/KOC (pH 7.4): 304.78
Polar Surface Area: 169 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 474.5±5.0 cm3

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