ChemSpider 2D Image | (3beta,5beta,25S)-Spirostan-3-yl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside | C38H62O12

(3β,5β,25S)-Spirostan-3-yl 6-O-α-L-arabinopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC38H62O12
  • Average mass710.892 Da
  • Monoisotopic mass710.424133 Da
  • ChemSpider ID23311618

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β,5β,25S)-Spirostan-3-yl 6-O-α-L-arabinopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5β,25S)-Spirostan-3-yl-6-O-α-L-arabinopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-α-L-Arabinopyranosyl-β-D-glucopyranoside de (3β,5β,25S)-spirostan-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5β,25S)-spirostan-3-yl 6-O-α-L-arabinopyranosyl- [ACD/Index Name]
(25S)-5-β-spirostan-3-β-hydroxy-3-O-α-arabinopyranosyl(1->6)-β-glucopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL400885/

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

Click to predict properties on the Chemicalize site


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