ChemSpider 2D Image | (5beta,8xi,9xi,13xi,14xi,16xi,17xi,25S)-Spirostan-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C39H64O13

(5β,8ξ,9ξ,13ξ,14ξ,16ξ,17ξ,25S)-Spirostan-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC39H64O13
  • Average mass740.918 Da
  • Monoisotopic mass740.434692 Da
  • ChemSpider ID9861084

  • defined stereocentres - 15 of 22 defined stereocentres

More details:

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

(5β,8ξ,9ξ,13ξ,14ξ,16ξ,17ξ,25S)-Spirostan-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(5β,8ξ,9ξ,13ξ,14ξ,16ξ,17ξ,25S)-Spirostan-3-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (5β,8ξ,9ξ,13ξ,14ξ,16ξ,17ξ,25S)-spirostan-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (5β,8ξ,9ξ,13ξ,14ξ,16ξ,17ξ,25S)-spirostan-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 862.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.5±6.0 kJ/mol
Flash Point: 475.6±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 187.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 152.01
ACD/KOC (pH 5.5): 1268.79
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 152.01
ACD/KOC (pH 7.4): 1268.77
Polar Surface Area: 197 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 542.4±5.0 cm3

Click to predict properties on the Chemicalize site


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