ChemSpider 2D Image | (3beta,12beta,22xi,25R)-3-Hydroxyspirostan-12-yl 2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-beta-D-xylopyranosyl]-alpha-L-arabinopyranoside | C47H68O15

(3β,12β,22ξ,25R)-3-Hydroxyspirostan-12-yl 2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranoside

  • Molecular FormulaC47H68O15
  • Average mass873.034 Da
  • Monoisotopic mass872.455811 Da
  • ChemSpider ID9182611

  • defined stereocentres - 19 of 21 defined stereocentres

More details:

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

(3β,12β,22ξ,25R)-3-Hydroxyspirostan-12-yl 2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranoside [ACD/IUPAC Name]
(3β,12β,22ξ,25R)-3-Hydroxyspirostan-12-yl-2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranosid [German] [ACD/IUPAC Name]
2-O-Acétyl-3-O-[2-O-(4-méthoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranoside de (3β,12β,22ξ,25R)-3-hydroxyspirostan-12-yle [French] [ACD/IUPAC Name]
α-L-Arabinopyranoside, (3β,12β,22ξ,25R)-3-hydroxyspirostan-12-yl 3-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-, 2-acetate [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.598
Molar Refractivity: 221.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 6.70
ACD/BCF (pH 5.5): 72542.16
ACD/KOC (pH 5.5): 104903.76
ACD/LogD (pH 7.4): 6.70
ACD/BCF (pH 7.4): 72541.36
ACD/KOC (pH 7.4): 104902.61
Polar Surface Area: 198 Å2
Polarizability: 88.0±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 650.5±5.0 cm3

Click to predict properties on the Chemicalize site


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