ChemSpider 2D Image | BIMATOPROST ACID METHYL ESTER | C24H34O5

BIMATOPROST ACID METHYL ESTER

  • Molecular FormulaC24H34O5
  • Average mass402.524 Da
  • Monoisotopic mass402.240631 Da
  • ChemSpider ID23498894

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5Z)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-5-phényl-1-pentén-1-yl]cyclopentyl}-5-hepténoate de méthyle [French] [ACD/IUPAC Name]
(Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-; 2-((E)-(S)-3-hydroxy-5-phenyl-pent-; 1-enyl)-cyclopentyl]-hept-5-enoic a; cid methyl ester
38315-47-8 [RN]
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl]-, methyl ester, (5Z)- [ACD/Index Name]
BIMATOPROST ACID METHYL ESTER
Methyl (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl}-5-heptenoate [ACD/IUPAC Name]
Methyl (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]cyclopentyl}hept-5-enoate
Methyl-(5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl}-5-heptenoat [German] [ACD/IUPAC Name]
(Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-
(Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-((E)-(S)-3-hydroxy-5-phenyl-pent-1-enyl)-cyclopentyl]-hept-5-enoic acid methyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9UHL27LCT4 [DBID]
UNII:9UHL27LCT4 [DBID]
UNII-9UHL27LCT4 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 557.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 184.0±23.6 °C
Index of Refraction: 1.591
Molar Refractivity: 116.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 102.64
ACD/KOC (pH 5.5): 957.90
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.64
ACD/KOC (pH 7.4): 957.90
Polar Surface Area: 87 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 343.9±3.0 cm3

Click to predict properties on the Chemicalize site


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