ChemSpider 2D Image | (3beta,12beta)-3-(beta-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-20-yl 6-O-alpha-L-arabinofuranosyl-beta-D-erythro-hexopyranoside | C47H80O17

(3β,12β)-3-(β-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-20-yl 6-O-α-L-arabinofuranosyl-β-D-erythro-hexopyranoside

  • Molecular FormulaC47H80O17
  • Average mass917.128 Da
  • Monoisotopic mass916.539551 Da
  • ChemSpider ID101935821

  • defined stereocentres - 22 of 24 defined stereocentres

More details:

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

(3β,12β)-3-(β-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-20-yl 6-O-α-L-arabinofuranosyl-β-D-erythro-hexopyranoside [ACD/IUPAC Name]
(3β,12β)-3-(β-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-20-yl-6-O-α-L-arabinofuranosyl-β-D-erythro-hexopyranosid [German] [ACD/IUPAC Name]
6-O-α-L-Arabinofuranosyl-β-D-érythro-hexopyranoside de (3β,12β)-3-(β-D-glucopyranosyloxy)-12-hydroxydammar-24-én-20-yle [French] [ACD/IUPAC Name]
β-D-erythro-Hexopyranoside, (3β,12β)-3-(β-D-glucopyranosyloxy)-12-hydroxydammar-24-en-20-yl 6-O-α-L-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: 994.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 164.3±6.0 kJ/mol
Flash Point: 555.0±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 232.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 118.76
ACD/KOC (pH 5.5): 1062.64
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 118.76
ACD/KOC (pH 7.4): 1062.64
Polar Surface Area: 278 Å2
Polarizability: 92.0±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 672.1±5.0 cm3

Click to predict properties on the Chemicalize site


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