ChemSpider 2D Image | 5-[(1R,6S)-1,6-Dihydroxy-4-oxo-3-{[(2E,4S,6R)-2,4,6,8-tetramethyl-2,7-nonadienoyl]amino}-2-cyclohexen-1-yl]pentanoic acid | C24H37NO6

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

  • Molecular FormulaC24H37NO6
  • Average mass435.554 Da
  • Monoisotopic mass435.262085 Da
  • ChemSpider ID44210907

  • 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

2-Cyclohexene-1-pentanoic acid, 1,6-dihydroxy-4-oxo-3-[[(2E,4S,6R)-2,4,6,8-tetramethyl-1-oxo-2,7-nonadien-1-yl]amino]-, (1R,6S)- [ACD/Index Name]
5-[(1R,6S)-1,6-Dihydroxy-4-oxo-3-{[(2E,4S,6R)-2,4,6,8-tetramethyl-2,7-nonadienoyl]amino}-2-cyclohexen-1-yl]pentanoic acid [ACD/IUPAC Name]
5-[(1R,6S)-1,6-Dihydroxy-4-oxo-3-{[(2E,4S,6R)-2,4,6,8-tetramethyl-2,7-nonadienoyl]amino}-2-cyclohexen-1-yl]pentansäure [German] [ACD/IUPAC Name]
Acide 5-[(1R,6S)-1,6-dihydroxy-4-oxo-3-{[(2E,4S,6R)-2,4,6,8-tétraméthyl-2,7-nonadienoyl]amino}-2-cyclohexén-1-yl]pentanoïque [French] [ACD/IUPAC Name]
Salternamide D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 682.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.5±6.0 kJ/mol
Flash Point: 366.3±31.5 °C
Index of Refraction: 1.545
Molar Refractivity: 118.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 17.93
ACD/KOC (pH 5.5): 158.81
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.53
Polar Surface Area: 124 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 375.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement