ChemSpider 2D Image | 3,8,14,17-Tetrahydroxy-20-oxopregn-5-en-12-yl 4-hydroxybenzoate | C28H36O8

3,8,14,17-Tetrahydroxy-20-oxopregn-5-en-12-yl 4-hydroxybenzoate

  • Molecular FormulaC28H36O8
  • Average mass500.581 Da
  • Monoisotopic mass500.241028 Da
  • ChemSpider ID385551

More details:

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

3,8,14,17-Tetrahydroxy-20-oxopregn-5-en-12-yl 4-hydroxybenzoate [ACD/IUPAC Name]
3,8,14,17-Tetrahydroxy-20-oxopregn-5-en-12-yl-4-hydroxybenzoat [German] [ACD/IUPAC Name]
4-Hydroxybenzoate de 3,8,14,17-tétrahydroxy-20-oxoprégn-5-én-12-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, 3,8,14,17-tetrahydroxy-20-oxopregn-5-en-12-yl ester [ACD/Index Name]
106644-33-1 [RN]
84745-94-8 [RN]
MFCD09752816
Qingyangshengenin
Qingyangshengenin A
QUINGYANGSHENGENIN

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

NSC379666 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 686.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 226.2±25.0 °C
Index of Refraction: 1.649
Molar Refractivity: 129.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 109.02
ACD/KOC (pH 5.5): 999.44
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 91.63
ACD/KOC (pH 7.4): 839.97
Polar Surface Area: 145 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 72.7±5.0 dyne/cm
Molar Volume: 356.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement