ChemSpider 2D Image | (3beta,6alpha,12beta,24R)-3,12,24-Trihydroxy-20,25-epoxydammaran-6-yl beta-D-glucopyranoside | C36H62O10

(3β,6α,12β,24R)-3,12,24-Trihydroxy-20,25-epoxydammaran-6-yl β-D-glucopyranoside

  • Molecular FormulaC36H62O10
  • Average mass654.872 Da
  • Monoisotopic mass654.434326 Da
  • ChemSpider ID24712816
  • defined stereocentres - 17 of 17 defined stereocentres


More details:






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

(3β,6α,12β,24R)-3,12,24-Trihydroxy-20,25-epoxydammaran-6-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,6α,12β,24R)-3,12,24-Trihydroxy-20,25-epoxydammaran-6-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
156398-69-5 [RN]
β-D-Glucopyranoside de (3β,6α,12β,24R)-3,12,24-trihydroxy-20,25-époxydammaran-6-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,6α,12β,24R)-20,25-epoxy-3,12,24-trihydroxydammaran-6-yl [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL509099/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 760.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.4±6.0 kJ/mol
Flash Point: 413.7±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 172.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.28
ACD/KOC (pH 5.5): 409.20
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.28
ACD/KOC (pH 7.4): 409.19
Polar Surface Area: 169 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 511.9±5.0 cm3

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