ChemSpider 2D Image | (3beta,5xi,9xi,12beta,13xi,17xi,20E)-12-Hydroxydammara-20(22),24-dien-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C42H70O12

(3β,5ξ,9ξ,12β,13ξ,17ξ,20E)-12-Hydroxydammara-20(22),24-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC42H70O12
  • Average mass766.998 Da
  • Monoisotopic mass766.486755 Da
  • ChemSpider ID8322677

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 19 defined stereocentres

More details:

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

(3β,5ξ,9ξ,12β,13ξ,17ξ,20E)-12-Hydroxydammara-20(22),24-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5ξ,9ξ,12β,13ξ,17ξ,20E)-12-Hydroxydammara-20(22),24-dien-3-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (3β,5ξ,9ξ,12β,13ξ,17ξ,20E)-12-hydroxydammara-20(22),24-dién-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5ξ,9ξ,12β,13ξ,17ξ,20E)-12-hydroxydammara-20(22),24-dien-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: 1.3±0.1 g/cm3
Boiling Point: 855.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.3±6.0 kJ/mol
Flash Point: 471.2±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 202.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2178.45
ACD/KOC (pH 5.5): 8531.83
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2178.42
ACD/KOC (pH 7.4): 8531.72
Polar Surface Area: 199 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 598.3±5.0 cm3

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