ChemSpider 2D Image | 2-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]ethyl 2-deoxy-2-(palmitoylamino)-alpha-D-glucopyranoside | C30H49N5O9

2-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]ethyl 2-deoxy-2-(palmitoylamino)-α-D-glucopyranoside

  • Molecular FormulaC30H49N5O9
  • Average mass623.738 Da
  • Monoisotopic mass623.353027 Da
  • ChemSpider ID8945527

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]ethyl 2-deoxy-2-(palmitoylamino)-α-D-glucopyranoside [ACD/IUPAC Name]
2-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]ethyl-2-desoxy-2-(palmitoylamino)-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Désoxy-2-(palmitoylamino)-α-D-glucopyranoside de 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]éthyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethyl 2-deoxy-2-[(1-oxohexadecyl)amino]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.576
Molar Refractivity: 162.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 4
ACD/LogP: 7.56
ACD/LogD (pH 5.5): 6.49
ACD/BCF (pH 5.5): 49991.42
ACD/KOC (pH 5.5): 80362.18
ACD/LogD (pH 7.4): 6.49
ACD/BCF (pH 7.4): 49991.20
ACD/KOC (pH 7.4): 80361.83
Polar Surface Area: 205 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 492.5±5.0 cm3

Click to predict properties on the Chemicalize site


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