ChemSpider 2D Image | 5-[(1S)-1-Hydroxy-4-oxo-3-{[(2E,4S,6R)-4,6,8-trimethyl-2,7-nonadienoyl]amino}-2,5-cyclohexadien-1-yl]pentanoic acid | C23H33NO5

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

  • Molecular FormulaC23H33NO5
  • Average mass403.512 Da
  • Monoisotopic mass403.235870 Da
  • ChemSpider ID44210905

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 656.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.6±6.0 kJ/mol
Flash Point: 350.6±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 112.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 21.39
ACD/KOC (pH 5.5): 179.22
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.84
Polar Surface Area: 104 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 354.9±5.0 cm3

Click to predict properties on the Chemicalize site


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