ChemSpider 2D Image | N-(4,5,6-Trihydroxy-3-azepanyl)acetamide | C8H16N2O4

N-(4,5,6-Trihydroxy-3-azepanyl)acetamide

  • Molecular FormulaC8H16N2O4
  • Average mass204.224 Da
  • Monoisotopic mass204.111008 Da
  • ChemSpider ID24610738
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

Acetamide, N-(hexahydro-4,5,6-trihydroxy-1H-azepin-3-yl)- [ACD/Index Name]
N-(4,5,6-Trihydroxy-3-azepanyl)acetamid [German] [ACD/IUPAC Name]
N-(4,5,6-Trihydroxy-3-azepanyl)acetamide [ACD/IUPAC Name]
N-(4,5,6-Trihydroxy-3-azépanyl)acétamide [French] [ACD/IUPAC Name]
N-[(3s,4r,5r,6s)-4,5,6-Trihydroxyazepan-3-Yl]acetamide
1147551-51-6 [RN]
2CZ

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 470.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.6±6.0 kJ/mol
Flash Point: 238.5±28.7 °C
Index of Refraction: 1.566
Molar Refractivity: 49.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -2.57
ACD/LogD (pH 5.5): -4.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 150.2±5.0 cm3

Click to predict properties on the Chemicalize site






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