ChemSpider 2D Image | (2R)-2-Benzyl-4,4-dihydroxy-5-nitropentanoic acid | C12H15NO6

(2R)-2-Benzyl-4,4-dihydroxy-5-nitropentanoic acid

  • Molecular FormulaC12H15NO6
  • Average mass269.251 Da
  • Monoisotopic mass269.089935 Da
  • ChemSpider ID25056642

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Benzyl-4,4-dihydroxy-5-nitropentanoic acid [ACD/IUPAC Name]
(2R)-2-Benzyl-4,4-dihydroxy-5-nitropentansäure [German] [ACD/IUPAC Name]
(2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid
Acide (2R)-2-benzyl-4,4-dihydroxy-5-nitropentanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-(2,2-dihydroxy-3-nitropropyl)-, (αR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 528.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 224.0±18.6 °C
Index of Refraction: 1.595
Molar Refractivity: 64.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.78
ACD/LogD (pH 7.4): -1.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 191.1±3.0 cm3

Click to predict properties on the Chemicalize site


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