ChemSpider 2D Image | (3beta,8xi,9xi,14xi,16xi,17xi,20xi,22xi)-Spirostan-3-yl 6-O-beta-D-xylopyranosyl-beta-D-galactopyranoside | C38H62O12

(3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-Spirostan-3-yl 6-O-β-D-xylopyranosyl-β-D-galactopyranoside

  • Molecular FormulaC38H62O12
  • Average mass710.892 Da
  • Monoisotopic mass710.424133 Da
  • ChemSpider ID22913487

  • defined stereocentres - 12 of 21 defined stereocentres

More details:

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

(3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-Spirostan-3-yl 6-O-β-D-xylopyranosyl-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-Spirostan-3-yl-6-O-β-D-xylopyranosyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Xylopyranosyl-β-D-galactopyranoside de (3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-spirostan-3-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-spirostan-3-yl 6-O-β-D-xylopyranosyl- [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: 824.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.4±6.0 kJ/mol
Flash Point: 452.7±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 181.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2455.79
ACD/KOC (pH 5.5): 9295.96
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2455.75
ACD/KOC (pH 7.4): 9295.85
Polar Surface Area: 177 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 528.6±5.0 cm3

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