ChemSpider 2D Image | 6-Chloro-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-20-oxopregna-4,6-dien-17-yl acetate | C29H41ClO8

6-Chloro-3-[(6-deoxy-α-L-mannopyranosyl)oxy]-20-oxopregna-4,6-dien-17-yl acetate

  • Molecular FormulaC29H41ClO8
  • Average mass553.084 Da
  • Monoisotopic mass552.249023 Da
  • ChemSpider ID112866

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

6-Chlor-3-[(6-desoxy-α-L-mannopyranosyl)oxy]-20-oxopregna-4,6-dien-17-yl-acetat [German] [ACD/IUPAC Name]
6-Chloro-3-[(6-deoxy-α-L-mannopyranosyl)oxy]-20-oxopregna-4,6-dien-17-yl acetate [ACD/IUPAC Name]
Acétate de 6-chloro-3-[(6-désoxy-α-L-mannopyranosyl)oxy]-20-oxoprégna-4,6-dién-17-yle [French] [ACD/IUPAC Name]
Pregna-4,6-dien-20-one, 17-(acetyloxy)-6-chloro-3-[(6-deoxy-α-L-mannopyranosyl)oxy]- [ACD/Index Name]
3-O-Rhamnosylchlormadinol acetate
3-Rcma
98753-25-4 [RN]
Pregna-4,6-dien-20-one, 17-(acetyloxy)-6-chloro-3-((6-deoxy-α-L-mannopyranosyl)oxy)-, (3β)-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 672.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±6.0 kJ/mol
Flash Point: 360.4±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 140.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 453.81
ACD/KOC (pH 5.5): 2775.84
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 453.81
ACD/KOC (pH 7.4): 2775.83
Polar Surface Area: 123 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 416.9±5.0 cm3

Click to predict properties on the Chemicalize site


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