ChemSpider 2D Image | MISOPROSTOL B | C22H36O4

MISOPROSTOL B

  • Molecular FormulaC22H36O4
  • Average mass364.519 Da
  • Monoisotopic mass364.261353 Da
  • ChemSpider ID32697942

  • Double-bond stereo - Double-bond stereo

More details:

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

(13E)-16-Hydroxy-16-méthyl-9-oxoprosta-8(12),13-dién-1-oate de méthyle [French] [ACD/IUPAC Name]
1331639-92-9 [RN]
Methyl (13E)-16-hydroxy-16-methyl-9-oxoprosta-8(12),13-dien-1-oate [ACD/IUPAC Name]
Methyl-(13E)-16-hydroxy-16-methyl-9-oxoprosta-8(12),13-dien-1-oat [German] [ACD/IUPAC Name]
MISOPROSTOL B
Prosta-8(12),13-dien-1-oic acid, 16-hydroxy-16-methyl-9-oxo-, methyl ester, (13E)- [ACD/Index Name]
1788085-79-9 [RN]
methyl 7-[2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopenten-1-yl]heptanoate
rac-11-Deoxy-8(12)-dehydro Misoprostol

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

61YOW58T50 [DBID]
UNII:61YOW58T50 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 498.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.3±6.0 kJ/mol
Flash Point: 163.0±20.3 °C
Index of Refraction: 1.527
Molar Refractivity: 106.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1877.46
ACD/KOC (pH 5.5): 7670.43
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1877.46
ACD/KOC (pH 7.4): 7670.43
Polar Surface Area: 64 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 347.1±3.0 cm3

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