ChemSpider 2D Image | (8xi,9xi,12alpha,14beta,17alpha)-12,20-Dihydroxy-4,4,14-trimethyl-18-norcholest-24-en-3-yl 2-O-[3-deoxy-3-(hydroxymethyl)-beta-D-glucopyranosyl]-beta-D-glucopyranoside | C42H72O13

(8ξ,9ξ,12α,14β,17α)-12,20-Dihydroxy-4,4,14-trimethyl-18-norcholest-24-en-3-yl 2-O-[3-deoxy-3-(hydroxymethyl)-β-D-glucopyranosyl]-β-D-glucopyranoside

  • Molecular FormulaC42H72O13
  • Average mass785.013 Da
  • Monoisotopic mass784.497314 Da
  • ChemSpider ID140443

  • defined stereocentres - 16 of 20 defined stereocentres

More details:

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

(8ξ,9ξ,12α,14β,17α)-12,20-Dihydroxy-4,4,14-trimethyl-18-norcholest-24-en-3-yl 2-O-[3-deoxy-3-(hydroxymethyl)-β-D-glucopyranosyl]-β-D-glucopyranoside [ACD/IUPAC Name]
(8ξ,9ξ,12α,14β,17α)-12,20-Dihydroxy-4,4,14-trimethyl-18-norcholest-24-en-3-yl-2-O-[3-desoxy-3-(hydroxymethyl)-β-D-glucopyranosyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-[3-Désoxy-3-(hydroxyméthyl)-β-D-glucopyranosyl]-β-D-glucopyranoside de (8ξ,9ξ,12α,14β,17α)-12,20-dihydroxy-4,4,14-triméthyl-18-norcholest-24-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (8ξ,9ξ,12α,14β,17α)-12-hydroxy-17-[(1S)-1-hydroxy-1,5-dimethyl-4-hexen-1-yl]-4,4,10,14-tetramethylgonan-3-yl 2-O-[3-deoxy-3-(hydroxymethyl)-β-D-glucopyranosyl]- [ACD/Index Name]
(20S)-Propanaxadiol
11019-45-7 [RN]
12770-19-3 [RN]
14197-60-5 [RN]
38243-03-7 [RN]
47891-53-2 [RN]
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 913.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.8±6.0 kJ/mol
Flash Point: 506.2±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 204.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1093.35
ACD/KOC (pH 5.5): 5205.54
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1093.35
ACD/KOC (pH 7.4): 5205.52
Polar Surface Area: 219 Å2
Polarizability: 81.0±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 602.9±5.0 cm3

Click to predict properties on the Chemicalize site


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