ChemSpider 2D Image | N-[3,5,6-Trihydroxy-7-(hydroxymethyl)-4-azepanyl]acetamide | C9H18N2O5

N-[3,5,6-Trihydroxy-7-(hydroxymethyl)-4-azepanyl]acetamide

  • Molecular FormulaC9H18N2O5
  • Average mass234.250 Da
  • Monoisotopic mass234.121567 Da
  • ChemSpider ID24614225

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Acetamide, N-[hexahydro-3,5,6-trihydroxy-7-(hydroxymethyl)-1H-azepin-4-yl]- [ACD/Index Name]
N-[(3r,4s,5r,6r,7r)-3,5,6-Trihydroxy-7-(Hydroxymethyl)azepan-4-Yl]acetamide
N-[3,5,6-Trihydroxy-7-(hydroxymethyl)-4-azepanyl]acetamid [German] [ACD/IUPAC Name]
N-[3,5,6-Trihydroxy-7-(hydroxymethyl)-4-azepanyl]acetamide [ACD/IUPAC Name]
N-[3,5,6-Trihydroxy-7-(hydroxyméthyl)-4-azépanyl]acétamide [French] [ACD/IUPAC Name]
HQ6

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

Density: 1.4±0.1 g/cm3
Boiling Point: 578.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.4±6.0 kJ/mol
Flash Point: 303.8±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 55.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -2.84
ACD/LogD (pH 5.5): -4.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 72.4±5.0 dyne/cm
Molar Volume: 164.7±5.0 cm3

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