ChemSpider 2D Image | 2-Methyl-2-propanyl (5R,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-2-methylene-4-nitrononanoate | C16H28N2O9

2-Methyl-2-propanyl (5R,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-2-methylene-4-nitrononanoate

  • Molecular FormulaC16H28N2O9
  • Average mass392.401 Da
  • Monoisotopic mass392.179474 Da
  • ChemSpider ID74091870

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5R,6R,7S,8R)-5-Acétamido-6,7,8,9-tétrahydroxy-2-méthylène-4-nitrononanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (5R,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-2-methylene-4-nitrononanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(5R,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-2-methylen-4-nitrononanoat [German] [ACD/IUPAC Name]
D-manno-Nononic acid, 5-(acetylamino)-2,3,4,5-tetradeoxy-2-methylene-4-nitro-, 1,1-dimethylethyl ester, (4ξ)- [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: 684.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±6.0 kJ/mol
Flash Point: 367.8±31.5 °C
Index of Refraction: 1.529
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.33
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 301.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement