ChemSpider 2D Image | (5Z)-7-{(1R,2R,3R,5S)-2-[(1E,3S)-5-(4-Azidophenyl)-3-hydroxy-1-penten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoic acid | C23H31N3O5

(5Z)-7-{(1R,2R,3R,5S)-2-[(1E,3S)-5-(4-Azidophenyl)-3-hydroxy-1-penten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoic acid

  • Molecular FormulaC23H31N3O5
  • Average mass429.509 Da
  • Monoisotopic mass429.226379 Da
  • ChemSpider ID23177958

  • 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)-2-[(1E,3S)-5-(4-Azidophenyl)-3-hydroxy-1-penten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoic acid [ACD/IUPAC Name]
(5Z)-7-{(1R,2R,3R,5S)-2-[(1E,3S)-5-(4-Azidophenyl)-3-hydroxy-1-penten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptensäure [German] [ACD/IUPAC Name]
(5Z)-7-{(1R,2R,3R,5S)-2-[(1E,3S)-5-(4-azidophenyl)-3-hydroxypent-1-en-1-yl]-3,5-dihydroxycyclopentyl}hept-5-enoic acid
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(1E,3S)-5-(4-azidophenyl)-3-hydroxy-1-penten-1-yl]-3,5-dihydroxycyclopentyl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-{(1R,2R,3R,5S)-2-[(1E,3S)-5-(4-azidophényl)-3-hydroxy-1-pentén-1-yl]-3,5-dihydroxycyclopentyl}-5-hepténoïque [French] [ACD/IUPAC Name]
(S-isomer)7-{2-[5-(4-Azido-phenyl)-3-hydroxy-pent-1-enyl]-3,5-dihydroxy-cyclopentyl}-hept-5-enoic acid

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 10.59
ACD/KOC (pH 5.5): 110.71
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.77
Polar Surface Area: 110 Å2
Polarizability:
Surface Tension:
Molar Volume:

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