ChemSpider 2D Image | 6-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]-N-[(2S,3S,4S)-1,3,4-trihydroxy-2-octadecanyl]hexanamide | C30H51N5O7

6-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]-N-[(2S,3S,4S)-1,3,4-trihydroxy-2-octadecanyl]hexanamide

  • Molecular FormulaC30H51N5O7
  • Average mass593.755 Da
  • Monoisotopic mass593.378845 Da
  • ChemSpider ID26324065

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

6-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]-N-[(2S,3S,4S)-1,3,4-trihydroxy-2-octadecanyl]hexanamid [German] [ACD/IUPAC Name]
6-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]-N-[(2S,3S,4S)-1,3,4-trihydroxy-2-octadecanyl]hexanamide [ACD/IUPAC Name]
6-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]-N-[(2S,3S,4S)-1,3,4-trihydroxy-2-octadécanyl]hexanamide [French] [ACD/IUPAC Name]
Hexanamide, N-[(1S,2S,3S)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]- [ACD/Index Name]
C6 NBD-PHYTOSPHINGOSINE

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.563
Molar Refractivity: 163.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 4
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 7.12
ACD/BCF (pH 5.5): 151357.56
ACD/KOC (pH 5.5): 177592.23
ACD/LogD (pH 7.4): 7.12
ACD/BCF (pH 7.4): 151357.39
ACD/KOC (pH 7.4): 177592.05
Polar Surface Area: 187 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 503.3±3.0 cm3

Click to predict properties on the Chemicalize site


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