ChemSpider 2D Image | TSUGARIOSIDE A | C38H60O9

TSUGARIOSIDE A

  • Molecular FormulaC38H60O9
  • Average mass660.878 Da
  • Monoisotopic mass660.423706 Da
  • ChemSpider ID8945953

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

1-O-[(3α)-3-Acetoxy-21-oxolanosta-8,24-dien-21-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3α)-3-Acetoxy-21-oxolanosta-8,24-dien-21-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3α)-3-Acétoxy-21-oxolanosta-8,24-dién-21-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
205119-13-7 [RN]
TSUGARIOSIDE A
β-D-Glucopyranose, 1-O-[(3α)-3-(acetyloxy)-21-oxolanosta-8,24-dien-21-yl]- [ACD/Index Name]
1-O-[(3α)-3-(acetyloxy)-21-oxolanosta-8,24-dien-21-yl]-β-D-glucopyranose
3α-acetoxy-5α-lanosta-8,24-dien-21-oic acid ester β-d-glucoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL465954/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 718.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.9±6.0 kJ/mol
Flash Point: 211.0±26.4 °C
Index of Refraction: 1.565
Molar Refractivity: 178.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.36
ACD/LogD (pH 5.5): 7.73
ACD/BCF (pH 5.5): 438697.03
ACD/KOC (pH 5.5): 380393.94
ACD/LogD (pH 7.4): 7.73
ACD/BCF (pH 7.4): 438691.25
ACD/KOC (pH 7.4): 380388.91
Polar Surface Area: 143 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 547.6±5.0 cm3

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