ChemSpider 2D Image | N,N'-Bis[(2S)-2,3-dihydroxypropyl]-5-nitroisophthalamide | C14H19N3O8

N,N'-Bis[(2S)-2,3-dihydroxypropyl]-5-nitroisophthalamide

  • Molecular FormulaC14H19N3O8
  • Average mass357.316 Da
  • Monoisotopic mass357.117218 Da
  • ChemSpider ID32789324

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, N1,N3-bis[(2S)-2,3-dihydroxypropyl]-5-nitro- [ACD/Index Name]
66108-87-0 [RN]
N,N'-Bis[(2S)-2,3-dihydroxypropyl]-5-nitroisophtalamide [French] [ACD/IUPAC Name]
N,N'-Bis[(2S)-2,3-dihydroxypropyl]-5-nitroisophthalamid [German] [ACD/IUPAC Name]
N,N'-Bis[(2S)-2,3-dihydroxypropyl]-5-nitroisophthalamide [ACD/IUPAC Name]
rel-N1,N3-Bis[(2R)-2,3-dihydroxypropyl]-5-nitro-1,3-benzenedicarboxamide
76820-34-3 [RN]
N,N'-BIS(2,3-DIHYDROXYPROPYL)-5-NITRO-ISOPHTHALAMIDE
UNII-R5E9U49190

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

Density: 1.5±0.1 g/cm3
Boiling Point: 768.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 418.6±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 84.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.46
ACD/LogD (pH 5.5): -2.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.71
ACD/LogD (pH 7.4): -2.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.71
Polar Surface Area: 185 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 78.1±3.0 dyne/cm
Molar Volume: 238.8±3.0 cm3

Click to predict properties on the Chemicalize site


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