ChemSpider 2D Image | (5beta,8alpha,9beta,10alpha,13alpha)-13-{[2-O-(alpha-L-Gulopyranosyl)-alpha-L-gulopyranosyl]oxy}kaur-16-en-18-oic acid | C32H50O13

(5β,8α,9β,10α,13α)-13-{[2-O-(α-L-Gulopyranosyl)-α-L-gulopyranosyl]oxy}kaur-16-en-18-oic acid

  • Molecular FormulaC32H50O13
  • Average mass642.732 Da
  • Monoisotopic mass642.325134 Da
  • ChemSpider ID30842713

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(5β,8α,9β,10α,13α)-13-{[2-O-(α-L-Gulopyranosyl)-α-L-gulopyranosyl]oxy}kaur-16-en-18-oic acid [ACD/IUPAC Name]
(5β,8α,9β,10α,13α)-13-{[2-O-(α-L-Gulopyranosyl)-α-L-gulopyranosyl]oxy}kaur-16-en-18-säure [German] [ACD/IUPAC Name]
Acide (5β,8α,9β,10α,13α)-13-{[2-O-(α-L-gulopyranosyl)-α-L-gulopyranosyl]oxy}kaur-16-én-18-oïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 847.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.0±6.0 kJ/mol
Flash Point: 267.6±27.8 °C
Index of Refraction: 1.628
Molar Refractivity: 156.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.69
ACD/KOC (pH 5.5): 27.69
ACD/LogD (pH 7.4): -0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 216 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 76.2±5.0 dyne/cm
Molar Volume: 441.3±5.0 cm3

Click to predict properties on the Chemicalize site


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