ChemSpider 2D Image | Latanoprostene bunod | C27H41NO8

Latanoprostene bunod

  • Molecular FormulaC27H41NO8
  • Average mass507.616 Da
  • Monoisotopic mass507.283203 Da
  • ChemSpider ID9331546
  • 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-[(3R)-3-hydroxy-5-phénylpentyl]cyclopentyl}-5-hepténoate de 4-(nitrooxy)butyle [French] [ACD/IUPAC Name]
4-(Nitrooxy)butyl (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl}-5-heptenoate [ACD/IUPAC Name]
4-(Nitrooxy)butyl-(5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl}-5-heptenoat [German] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-, 4-(nitrooxy)butyl ester, (5Z)- [ACD/Index Name]
860005-21-6 [RN]
9629
I6393O0922
Latanoprostene bunod [INN] [USAN]
Latanoprostène bunod [French] [INN]
Latanoprosteno bunod [Spanish] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 658.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 351.9±31.5 °C
Index of Refraction: 1.544
Molar Refractivity: 136.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 1006.82
ACD/KOC (pH 5.5): 4910.34
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 1006.82
ACD/KOC (pH 7.4): 4910.34
Polar Surface Area: 142 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 430.7±3.0 cm3

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