ChemSpider 2D Image | 15(R)-15-methyl Prostaglandin A2 | C21H32O4

15(R)-15-methyl Prostaglandin A2

  • Molecular FormulaC21H32O4
  • Average mass348.476 Da
  • Monoisotopic mass348.230072 Da
  • ChemSpider ID29342018

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5Z,13E,15R)-15-Hydroxy-15-methyl-9-oxoprosta-5,10,13-trien-1-oic acid [ACD/IUPAC Name]
(5Z,13E,15R)-15-Hydroxy-15-methyl-9-oxoprosta-5,10,13-trien-1-säure [German] [ACD/IUPAC Name]
15(R)-15-methyl Prostaglandin A2
96440-68-5 [RN]
Acide (5Z,13E,15R)-15-hydroxy-15-méthyl-9-oxoprosta-5,10,13-trién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,10,13-trien-1-oic acid, 15-hydroxy-15-methyl-9-oxo-, (5Z,13E,15R)- [ACD/Index Name]
(Z)-7-[(1R,2S)-2-[(E,3R)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
[96440-68-5] [RN]
15(R)-15-METHYLPROSTAGLANDINA2
9-OXO-15R-HYDROXY-15-HETHYL-PROSTA-5Z,10,13E-TRIEN-1-OIC ACID
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 520.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.4±6.0 kJ/mol
Flash Point: 282.9±26.6 °C
Index of Refraction: 1.551
Molar Refractivity: 101.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 123.29
ACD/KOC (pH 5.5): 638.56
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 1.97
ACD/KOC (pH 7.4): 10.19
Polar Surface Area: 75 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 319.3±3.0 cm3

Click to predict properties on the Chemicalize site


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