ChemSpider 2D Image | 1-O-[(2alpha,3beta)-2,3,19-Trihydroxy-28-oxo-23-(sulfooxy)urs-12-en-28-yl]-beta-D-glucopyranose | C36H58O14S

1-O-[(2α,3β)-2,3,19-Trihydroxy-28-oxo-23-(sulfooxy)urs-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC36H58O14S
  • Average mass746.902 Da
  • Monoisotopic mass746.354736 Da
  • ChemSpider ID24655303

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

1-O-[(2α,3β)-2,3,19-Trihydroxy-28-oxo-23-(sulfooxy)urs-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2α,3β)-2,3,19-Trihydroxy-28-oxo-23-(sulfooxy)urs-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2α,3β)-2,3,19-Trihydroxy-28-oxo-23-(sulfooxy)urs-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(2α,3β)-2,3,19-trihydroxy-28-oxo-23-(sulfooxy)urs-12-en-28-yl]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 182.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.06
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 249 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 516.3±5.0 cm3

Click to predict properties on the Chemicalize site


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