ChemSpider 2D Image | 5-[(1R)-3-Chloro-1-hydroxy-4-oxo-5-{[(2E,4S,6R)-4,6,8-trimethyl-2,7-nonadienoyl]amino}-2,5-cyclohexadien-1-yl]pentanoic acid | C23H32ClNO5

5-[(1R)-3-Chloro-1-hydroxy-4-oxo-5-{[(2E,4S,6R)-4,6,8-trimethyl-2,7-nonadienoyl]amino}-2,5-cyclohexadien-1-yl]pentanoic acid

  • Molecular FormulaC23H32ClNO5
  • Average mass437.957 Da
  • Monoisotopic mass437.196899 Da
  • ChemSpider ID44210904

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2,5-Cyclohexadiene-1-pentanoic acid, 3-chloro-1-hydroxy-4-oxo-5-[[(2E,4S,6R)-4,6,8-trimethyl-1-oxo-2,7-nonadien-1-yl]amino]-, (1R)- [ACD/Index Name]
5-[(1R)-3-Chlor-1-hydroxy-4-oxo-5-{[(2E,4S,6R)-4,6,8-trimethyl-2,7-nonadienoyl]amino}-2,5-cyclohexadien-1-yl]pentansäure [German] [ACD/IUPAC Name]
5-[(1R)-3-Chloro-1-hydroxy-4-oxo-5-{[(2E,4S,6R)-4,6,8-trimethyl-2,7-nonadienoyl]amino}-2,5-cyclohexadien-1-yl]pentanoic acid [ACD/IUPAC Name]
Acide 5-[(1R)-3-chloro-1-hydroxy-4-oxo-5-{[(2E,4S,6R)-4,6,8-triméthyl-2,7-nonadienoyl]amino}-2,5-cyclohexadién-1-yl]pentanoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 684.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±6.0 kJ/mol
Flash Point: 367.6±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 117.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 74.03
ACD/KOC (pH 5.5): 435.20
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 1.17
ACD/KOC (pH 7.4): 6.89
Polar Surface Area: 104 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 366.0±5.0 cm3

Click to predict properties on the Chemicalize site


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