Found 1 result

Search term: 113370163 (Found by CSID)
ChemSpider 2D Image | (4R,5E)-4-Hydroxy-6-{(1R,2R,5R)-5-hydroxy-3-oxo-2-[(2Z,5Z,8Z)-2,5,8-undecatrien-1-yl]cyclopentyl}-5-hexenoic acid | C22H32O5

(4R,5E)-4-Hydroxy-6-{(1R,2R,5R)-5-hydroxy-3-oxo-2-[(2Z,5Z,8Z)-2,5,8-undecatrien-1-yl]cyclopentyl}-5-hexenoic acid

  • Molecular FormulaC22H32O5
  • Average mass376.487 Da
  • Monoisotopic mass376.224976 Da
  • ChemSpider ID113370163

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4R,5E)-4-Hydroxy-6-{(1R,2R,5R)-5-hydroxy-3-oxo-2-[(2Z,5Z,8Z)-2,5,8-undecatrien-1-yl]cyclopentyl}-5-hexenoic acid [ACD/IUPAC Name]
(4R,5E)-4-Hydroxy-6-{(1R,2R,5R)-5-hydroxy-3-oxo-2-[(2Z,5Z,8Z)-2,5,8-undecatrien-1-yl]cyclopentyl}-5-hexensäure [German] [ACD/IUPAC Name]
5-Hexenoic acid, 4-hydroxy-6-[(1R,2R,5R)-5-hydroxy-3-oxo-2-[(2Z,5Z,8Z)-2,5,8-undecatrien-1-yl]cyclopentyl]-, (4R,5E)- [ACD/Index Name]
Acide (4R,5E)-4-hydroxy-6-{(1R,2R,5R)-5-hydroxy-3-oxo-2-[(2Z,5Z,8Z)-2,5,8-undécatrién-1-yl]cyclopentyl}-5-hexénoïque [French] [ACD/IUPAC Name]
(R,E)-4-hydroxy-6-((1R,2R,5R)-5-hydroxy-3-oxo-2-((2Z,5Z,8Z)-undeca-2,5,8-trien-1-yl)cyclopentyl)hex-5-enoic acid
ent-7-epi-4-D4c-NeuroP

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

Density: 1.2±0.1 g/cm3
Boiling Point: 567.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.8±6.0 kJ/mol
Flash Point: 310.9±26.6 °C
Index of Refraction: 1.579
Molar Refractivity: 108.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 3.19
ACD/KOC (pH 5.5): 41.71
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 327.1±3.0 cm3

Click to predict properties on the Chemicalize site


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