ChemSpider 2D Image | (3alpha,12beta)-20-{[6-O-(alpha-L-Arabinopyranosyl)-beta-D-gulopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl 2-O-beta-L-glucopyranosyl-beta-L-glucopyranoside | C53H90O22

(3α,12β)-20-{[6-O-(α-L-Arabinopyranosyl)-β-D-gulopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl 2-O-β-L-glucopyranosyl-β-L-glucopyranoside

  • Molecular FormulaC53H90O22
  • Average mass1079.269 Da
  • Monoisotopic mass1078.592407 Da
  • ChemSpider ID60959570

  • defined stereocentres - 29 of 29 defined stereocentres

More details:

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

(3α,12β)-20-{[6-O-(α-L-Arabinopyranosyl)-β-D-gulopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl 2-O-β-L-glucopyranosyl-β-L-glucopyranoside [ACD/IUPAC Name]
(3α,12β)-20-{[6-O-(α-L-Arabinopyranosyl)-β-D-gulopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl-2-O-β-L-glucopyranosyl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
2-O-β-L-Glucopyranosyl-β-L-glucopyranoside de (3α,12β)-20-{[6-O-(α-L-arabinopyranosyl)-β-D-gulopyranosyl]oxy}-12-hydroxydammar-24-én-3-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, (3α,12β)-20-[(6-O-α-L-arabinopyranosyl-β-D-gulopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-β-L-glucopyranosyl- [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: 1117.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 185.8±6.0 kJ/mol
Flash Point: 629.4±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 265.7±0.4 cm3
#H bond acceptors: 22
#H bond donors: 14
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.31
ACD/KOC (pH 5.5): 341.44
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.31
ACD/KOC (pH 7.4): 341.44
Polar Surface Area: 357 Å2
Polarizability: 105.3±0.5 10-24cm3
Surface Tension: 76.6±5.0 dyne/cm
Molar Volume: 754.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement