ChemSpider 2D Image | Isopropyl (5E)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl}-5-heptenoate | C26H38O5

Isopropyl (5E)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl}-5-heptenoate

  • Molecular FormulaC26H38O5
  • Average mass430.577 Da
  • Monoisotopic mass430.271912 Da
  • ChemSpider ID27472355

  • 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

(5E)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3S)-3-hydroxy-5-phényl-1-pentén-1-yl]cyclopentyl}-5-hepténoate d'isopropyle [French] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl]-, 1-methylethyl ester, (5E)- [ACD/Index Name]
Isopropyl (5E)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl}-5-heptenoate [ACD/IUPAC Name]
Isopropyl-(5E)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl}-5-heptenoat [German] [ACD/IUPAC Name]
130209-76-6 [RN]
130273-87-9 [RN]
15(R)-17-PHENYL TRINOR PROSTAGLANDIN F2α ISOPROPYL ESTER
Bimatoprost isopropyl ester
DEHYDROLATANOPROST

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

Density: 1.1±0.1 g/cm3
Boiling Point: 573.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 185.0±23.6 °C
Index of Refraction: 1.579
Molar Refractivity: 125.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 373.99
ACD/KOC (pH 5.5): 2416.88
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 373.99
ACD/KOC (pH 7.4): 2416.88
Polar Surface Area: 87 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 377.3±3.0 cm3

Click to predict properties on the Chemicalize site


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