ChemSpider 2D Image | (3beta,8xi,9xi,14xi,16xi,17xi,20xi,22xi)-Spirost-5-en-3-yl 4-O-beta-D-allopyranosyl-beta-D-allopyranoside | C39H62O13

(3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-Spirost-5-en-3-yl 4-O-β-D-allopyranosyl-β-D-allopyranoside

  • Molecular FormulaC39H62O13
  • Average mass738.902 Da
  • Monoisotopic mass738.419067 Da
  • ChemSpider ID10142286

  • defined stereocentres - 13 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)-Spirost-5-en-3-yl 4-O-β-D-allopyranosyl-β-D-allopyranoside [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-Spirost-5-en-3-yl-4-O-β-D-allopyranosyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
4-O-β-D-Allopyranosyl-β-D-allopyranoside de (3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-spirost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Allopyranoside, (3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-spirost-5-en-3-yl 4-O-β-D-allopyranosyl- [ACD/Index Name]
Diosgenin-3-di-β-O-glucopyranoside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 872.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.1±6.0 kJ/mol
Flash Point: 481.6±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 186.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 105.18
ACD/KOC (pH 5.5): 974.76
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 105.17
ACD/KOC (pH 7.4): 974.74
Polar Surface Area: 197 Å2
Polarizability: 74.1±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 535.0±5.0 cm3

Click to predict properties on the Chemicalize site


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