ChemSpider 2D Image | (3beta)-6-Chloro-3-(beta-D-glucopyranosyloxy)-20-oxopregna-4,6-dien-17-yl acetate | C29H41ClO9

(3β)-6-Chloro-3-(β-D-glucopyranosyloxy)-20-oxopregna-4,6-dien-17-yl acetate

  • Molecular FormulaC29H41ClO9
  • Average mass569.083 Da
  • Monoisotopic mass568.243896 Da
  • ChemSpider ID169163

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β)-6-Chlor-3-(β-D-glucopyranosyloxy)-20-oxopregna-4,6-dien-17-yl-acetat [German] [ACD/IUPAC Name]
(3β)-6-Chloro-3-(β-D-glucopyranosyloxy)-20-oxopregna-4,6-dien-17-yl acetate [ACD/IUPAC Name]
Acétate de (3β)-6-chloro-3-(β-D-glucopyranosyloxy)-20-oxoprégna-4,6-dién-17-yle [French] [ACD/IUPAC Name]
Pregna-4,6-dien-20-one, 17-(acetyloxy)-6-chloro-3-(β-D-glucopyranosyloxy)-, (3β)- [ACD/Index Name]
113547-99-2 [RN]
3-Gcma
3-O-Glucosylchlormadinol acetate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 710.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.8±6.0 kJ/mol
Flash Point: 383.7±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 141.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.39
ACD/KOC (pH 5.5): 362.32
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.39
ACD/KOC (pH 7.4): 362.31
Polar Surface Area: 143 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 414.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement