ChemSpider 2D Image | (3beta,12beta,23E)-3-(beta-D-Glucopyranosyloxy)-12-hydroxydammar-23-en-20-yl 6-O-alpha-D-arabinofuranosyl-beta-D-glucopyranoside | C47H80O17

(3β,12β,23E)-3-(β-D-Glucopyranosyloxy)-12-hydroxydammar-23-en-20-yl 6-O-α-D-arabinofuranosyl-β-D-glucopyranoside

  • Molecular FormulaC47H80O17
  • Average mass917.128 Da
  • Monoisotopic mass916.539551 Da
  • ChemSpider ID82963966

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 24 of 24 defined stereocentres

More details:

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

(3β,12β,23E)-3-(β-D-Glucopyranosyloxy)-12-hydroxydammar-23-en-20-yl 6-O-α-D-arabinofuranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,12β,23E)-3-(β-D-Glucopyranosyloxy)-12-hydroxydammar-23-en-20-yl-6-O-α-D-arabinofuranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-α-D-Arabinofuranosyl-β-D-glucopyranoside de (3β,12β,23E)-3-(β-D-glucopyranosyloxy)-12-hydroxydammar-23-én-20-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,12β,23E)-3-(β-D-glucopyranosyloxy)-12-hydroxydammar-23-en-20-yl 6-O-α-D-arabinofuranosyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 990.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 163.6±6.0 kJ/mol
Flash Point: 552.6±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 232.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 79.18
ACD/KOC (pH 5.5): 794.96
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 79.18
ACD/KOC (pH 7.4): 794.96
Polar Surface Area: 278 Å2
Polarizability: 92.1±0.5 10-24cm3
Surface Tension: 69.4±5.0 dyne/cm
Molar Volume: 672.8±5.0 cm3

Click to predict properties on the Chemicalize site


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