ChemSpider 2D Image | (5Z)-7-{(1R,2R,3S,5S)-2-[(3S)-3-(2,3-Dihydro-1H-inden-2-yl)-3-hydroxy-1-propen-1-yl]-3-fluoro-5-hydroxycyclopentyl}-5-heptenoic acid | C24H31FO4

(5Z)-7-{(1R,2R,3S,5S)-2-[(3S)-3-(2,3-Dihydro-1H-inden-2-yl)-3-hydroxy-1-propen-1-yl]-3-fluoro-5-hydroxycyclopentyl}-5-heptenoic acid

  • Molecular FormulaC24H31FO4
  • Average mass402.499 Da
  • Monoisotopic mass402.220642 Da
  • ChemSpider ID29341987

  • 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,3S,5S)-2-[(3S)-3-(2,3-Dihydro-1H-inden-2-yl)-3-hydroxy-1-propen-1-yl]-3-fluor-5-hydroxycyclopentyl}-5-heptensäure [German] [ACD/IUPAC Name]
(5Z)-7-{(1R,2R,3S,5S)-2-[(3S)-3-(2,3-Dihydro-1H-inden-2-yl)-3-hydroxy-1-propen-1-yl]-3-fluoro-5-hydroxycyclopentyl}-5-heptenoic acid [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(1R,2R,3S,5S)-2-[(3S)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-1-propen-1-yl]-3-fluoro-5-hydroxycyclopentyl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-{(1R,2R,3S,5S)-2-[(3S)-3-(2,3-dihydro-1H-indén-2-yl)-3-hydroxy-1-propén-1-yl]-3-fluoro-5-hydroxycyclopentyl}-5-hepténoïque [French] [ACD/IUPAC Name]
(S)-AL 8810
1224444-55-6 [RN]
9?,15S-dihydroxy-11?-fluoro-15-(2,3-dihydro-1H-inden-2-yl)-16,17,18,19,20-pentanor-prosta-5Z,13E-dien-1-oic acid
9α,15S-dihydroxy-11β-fluoro-15-(2,3-dihydro-1H-inden-2-yl)-16,17,18,19,20-pentanor-prosta-5Z,13E-dien-1-oic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 594.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 313.4±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 110.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 64.76
ACD/KOC (pH 5.5): 404.95
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 6.47
Polar Surface Area: 78 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 330.4±5.0 cm3

Click to predict properties on the Chemicalize site


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