ChemSpider 2D Image | (3beta,7beta,20S)-7,20,22,23-Tetrahydroxydammar-24-en-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C42H72O14

(3β,7β,20S)-7,20,22,23-Tetrahydroxydammar-24-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC42H72O14
  • Average mass801.013 Da
  • Monoisotopic mass800.492188 Da
  • ChemSpider ID9333719

  • defined stereocentres - 20 of 22 defined stereocentres

More details:

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

(3β,7β,20S)-7,20,22,23-Tetrahydroxydammar-24-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,7β,20S)-7,20,22,23-Tetrahydroxydammar-24-en-3-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (3β,7β,20S)-7,20,22,23-tétrahydroxydammar-24-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,7β,20S)-7,20,22,23-tetrahydroxydammar-24-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL448220/
SAPINMUSAPONIN B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 929.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.5±6.0 kJ/mol
Flash Point: 516.2±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 205.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 204.92
ACD/KOC (pH 5.5): 1570.24
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 204.92
ACD/KOC (pH 7.4): 1570.23
Polar Surface Area: 239 Å2
Polarizability: 81.6±0.5 10-24cm3
Surface Tension: 66.4±5.0 dyne/cm
Molar Volume: 601.0±5.0 cm3

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