ChemSpider 2D Image | 16-Hydroxy-9,10,14-trimethyl-1,11,20-trioxo-4,9-cyclo-9,10-secopregn-5-en-2-yl hexopyranoside | C30H44O10

16-Hydroxy-9,10,14-trimethyl-1,11,20-trioxo-4,9-cyclo-9,10-secopregn-5-en-2-yl hexopyranoside

  • Molecular FormulaC30H44O10
  • Average mass564.664 Da
  • Monoisotopic mass564.293457 Da
  • ChemSpider ID24611519

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

16-Hydroxy-9,10,14-trimethyl-1,11,20-trioxo-4,9-cyclo-9,10-secopregn-5-en-2-yl hexopyranoside [ACD/IUPAC Name]
16-Hydroxy-9,10,14-trimethyl-1,11,20-trioxo-4,9-cyclo-9,10-secopregn-5-en-2-ylhexopyranosid [German] [ACD/IUPAC Name]
Estr-5-ene-3,11-dione, 17-acetyl-2-(hexopyranosyloxy)-16-hydroxy-4,4,9,14-tetramethyl- [ACD/Index Name]
Hexopyranoside de 16-hydroxy-9,10,14-triméthyl-1,11,20-trioxo-4,9-cyclo-9,10-sécoprégn-5-én-2-yle [French] [ACD/IUPAC 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: 742.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.6±6.0 kJ/mol
Flash Point: 237.9±26.4 °C
Index of Refraction: 1.599
Molar Refractivity: 141.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -0.42
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.94
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.94
Polar Surface Area: 171 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 414.9±5.0 cm3

Click to predict properties on the Chemicalize site


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