ChemSpider 2D Image | Carboprost Methylate | C22H38O5

Carboprost Methylate

  • Molecular FormulaC22H38O5
  • Average mass382.534 Da
  • Monoisotopic mass382.271912 Da
  • ChemSpider ID21927673

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z,13E)-9,11,15-Trihydroxy-15-méthylprosta-5,13-dién-1-oate de méthyle [French] [ACD/IUPAC Name]
Carboprost Methylate
Methyl (5Z,13E)-9,11,15-trihydroxy-15-methylprosta-5,13-dien-1-oate [ACD/IUPAC Name]
Methyl-(5Z,13E)-9,11,15-trihydroxy-15-methylprosta-5,13-dien-1-oat [German] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-15-methyl-, methyl ester, (5Z,13E)- [ACD/Index Name]
35700-21-1 [RN]
Carboprost methyl (USAN)
MFCD01632741 [MDL number]

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

D03399 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 501.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.7±6.0 kJ/mol
Flash Point: 162.2±23.6 °C
Index of Refraction: 1.545
Molar Refractivity: 110.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 318.85
ACD/KOC (pH 5.5): 2156.12
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 318.85
ACD/KOC (pH 7.4): 2156.12
Polar Surface Area: 87 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 348.9±3.0 cm3

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