ChemSpider 2D Image | (3beta,5xi,6alpha,9xi,12beta,13xi)-3,6,12-Trihydroxydammar-24-en-20-yl 6-O-[(3xi)-beta-D-threo-pentopyranosyl]-beta-D-glucopyranoside | C41H70O13

(3β,5ξ,6α,9ξ,12β,13ξ)-3,6,12-Trihydroxydammar-24-en-20-yl 6-O-[(3ξ)-β-D-threo-pentopyranosyl]-β-D-glucopyranoside

  • Molecular FormulaC41H70O13
  • Average mass770.987 Da
  • Monoisotopic mass770.481628 Da
  • ChemSpider ID9518182

  • defined stereocentres - 16 of 20 defined stereocentres

More details:

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

(3β,5ξ,6α,9ξ,12β,13ξ)-3,6,12-Trihydroxydammar-24-en-20-yl 6-O-[(3ξ)-β-D-threo-pentopyranosyl]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5ξ,6α,9ξ,12β,13ξ)-3,6,12-Trihydroxydammar-24-en-20-yl-6-O-[(3ξ)-β-D-threo-pentopyranosyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(3ξ)-β-D-thréo-Pentopyranosyl]-β-D-glucopyranoside de (3β,5ξ,6α,9ξ,12β,13ξ)-3,6,12-trihydroxydammar-24-én-20-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5ξ,6α,9ξ,12β,13ξ)-3,6,12-trihydroxydammar-24-en-20-yl 6-O-[(3ξ)-β-D-threo-pentopyranosyl]- [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: 873.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.2±6.0 kJ/mol
Flash Point: 481.9±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 199.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 263.06
ACD/KOC (pH 5.5): 1877.59
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 263.06
ACD/KOC (pH 7.4): 1877.58
Polar Surface Area: 219 Å2
Polarizability: 79.2±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 586.7±5.0 cm3

Click to predict properties on the Chemicalize site


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