ChemSpider 2D Image | Ethyl (4R,5R,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-2-methylene-4-nitrononanoate | C14H24N2O9

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

  • Molecular FormulaC14H24N2O9
  • Average mass364.348 Da
  • Monoisotopic mass364.148193 Da
  • ChemSpider ID29337118

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R,5R,6R,7S,8R)-5-Acétamido-6,7,8,9-tétrahydroxy-2-méthylène-4-nitrononanoate d'éthyle [French] [ACD/IUPAC Name]
D-glycero-D-talo-Nononic acid, 5-(acetylamino)-2,3,4,5-tetradeoxy-2-methylene-4-nitro-, ethyl ester [ACD/Index Name]
Ethyl (4R,5R,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-2-methylene-4-nitrononanoate [ACD/IUPAC Name]
Ethyl-(4R,5R,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-2-methylen-4-nitrononanoat [German] [ACD/IUPAC Name]
ethyl 5-acetamido-2,3,4,5-tetradeoxy-2-methylene-4-nitro-d-glycero-d-talo-nononate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 694.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.3±6.0 kJ/mol
Flash Point: 373.6±31.5 °C
Index of Refraction: 1.537
Molar Refractivity: 83.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.30
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.94
ACD/LogD (pH 7.4): -2.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 268.6±3.0 cm3

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