ChemSpider 2D Image | (5Z)-7-[(1S,2R,3R,5S)-2-{[3-(3-Chlorophenoxy)-2-hydroxypropyl]sulfanyl}-3,5-dihydroxycyclopentyl]-5-heptenoic acid | C21H29ClO6S

(5Z)-7-[(1S,2R,3R,5S)-2-{[3-(3-Chlorophenoxy)-2-hydroxypropyl]sulfanyl}-3,5-dihydroxycyclopentyl]-5-heptenoic acid

  • Molecular FormulaC21H29ClO6S
  • Average mass444.969 Da
  • Monoisotopic mass444.137329 Da
  • ChemSpider ID88298012

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5Z)-7-[(1S,2R,3R,5S)-2-{[3-(3-Chlorophenoxy)-2-hydroxypropyl]sulfanyl}-3,5-dihydroxycyclopentyl]-5-heptenoic acid [ACD/IUPAC Name]
(5Z)-7-[(1S,2R,3R,5S)-2-{[3-(3-Chlorphenoxy)-2-hydroxypropyl]sulfanyl}-3,5-dihydroxycyclopentyl]-5-heptensäure [German] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(1S,2R,3R,5S)-2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]thio]-3,5-dihydroxycyclopentyl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-[(1S,2R,3R,5S)-2-{[3-(3-chlorophénoxy)-2-hydroxypropyl]sulfanyl}-3,5-dihydroxycyclopentyl]-5-hepténoïque [French] [ACD/IUPAC Name]
73523-00-9 [RN]
luprostenol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 685.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 368.1±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 114.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 11.15
ACD/KOC (pH 5.5): 114.91
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.84
Polar Surface Area: 133 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 330.2±5.0 cm3

Click to predict properties on the Chemicalize site


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