ChemSpider 2D Image | (5xi,8xi,9xi,12alpha,14beta,20R)-12,20-Dihydroxylanost-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C42H72O13

(5ξ,8ξ,9ξ,12α,14β,20R)-12,20-Dihydroxylanost-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC42H72O13
  • Average mass785.013 Da
  • Monoisotopic mass784.497314 Da
  • ChemSpider ID157946

  • defined stereocentres - 16 of 20 defined stereocentres

More details:

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

(5ξ,8ξ,9ξ,12α,14β,20R)-12,20-Dihydroxylanost-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(5ξ,8ξ,9ξ,12α,14β,20R)-12,20-Dihydroxylanost-24-en-3-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (5ξ,8ξ,9ξ,12α,14β,20R)-12,20-dihydroxylanost-24-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (5ξ,8ξ,9ξ,12α,14β,20R)-12,20-dihydroxylanost-24-en-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]
38243-03-7 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 885.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.1±6.0 kJ/mol
Flash Point: 489.0±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 204.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 317.52
ACD/KOC (pH 5.5): 2148.30
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 317.52
ACD/KOC (pH 7.4): 2148.29
Polar Surface Area: 219 Å2
Polarizability: 81.0±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 602.7±5.0 cm3

Click to predict properties on the Chemicalize site


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