ChemSpider 2D Image | (5Z)-7-{(1R,2R,3R,5R)-2-[(1E,4R)-4-(1-Allylcyclobutyl)-4-hydroxy-1-buten-1-yl]-5-chloro-3-hydroxycyclopentyl}-5-heptenoic acid | C23H35ClO4

(5Z)-7-{(1R,2R,3R,5R)-2-[(1E,4R)-4-(1-Allylcyclobutyl)-4-hydroxy-1-buten-1-yl]-5-chloro-3-hydroxycyclopentyl}-5-heptenoic acid

  • Molecular FormulaC23H35ClO4
  • Average mass410.975 Da
  • Monoisotopic mass410.222382 Da
  • ChemSpider ID57378998

  • 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,5R)-2-[(1E,4R)-4-(1-Allylcyclobutyl)-4-hydroxy-1-buten-1-yl]-5-chlor-3-hydroxycyclopentyl}-5-heptensäure [German] [ACD/IUPAC Name]
(5Z)-7-{(1R,2R,3R,5R)-2-[(1E,4R)-4-(1-Allylcyclobutyl)-4-hydroxy-1-buten-1-yl]-5-chloro-3-hydroxycyclopentyl}-5-heptenoic acid [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-[(1E,4R)-4-hydroxy-4-[1-(2-propen-1-yl)cyclobutyl]-1-buten-1-yl]cyclopentyl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-{(1R,2R,3R,5R)-2-[(1E,4R)-4-(1-allylcyclobutyl)-4-hydroxy-1-butén-1-yl]-5-chloro-3-hydroxycyclopentyl}-5-hepténoïque [French] [ACD/IUPAC Name]
272771-50-3 [RN]
ONO-AE 1-259

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

Density: 1.2±0.1 g/cm3
Boiling Point: 562.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.1±6.0 kJ/mol
Flash Point: 294.0±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 113.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 54.04
ACD/KOC (pH 5.5): 355.83
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.69
Polar Surface Area: 78 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 354.3±5.0 cm3

Click to predict properties on the Chemicalize site


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