ChemSpider 2D Image | (2S,3R)-3-(Boc-amino)-2-hydroxy-4-(4-nitrophenyl)butyric acid | C15H20N2O7

(2S,3R)-3-(Boc-amino)-2-hydroxy-4-(4-nitrophenyl)butyric acid

  • Molecular FormulaC15H20N2O7
  • Average mass340.328 Da
  • Monoisotopic mass340.127045 Da
  • ChemSpider ID24227245

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-(4-nitrophenyl)butanoic acid [ACD/IUPAC Name]
(2S,3R)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-(4-nitrophenyl)butansäure [German] [ACD/IUPAC Name]
(2S,3R)-3-(Boc-amino)-2-hydroxy-4-(4-nitrophenyl)butyric acid
(2S,3R)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-4-(4-nitrophenyl)butanoic acid
112898-24-5 [RN]
Acide (2S,3R)-2-hydroxy-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-4-(4-nitrophényl)butanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-4-nitro-, (αS,βR)- [ACD/Index Name]
(2S,3R)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-4-(4-nitrophenyl)butanoic acid
(2S,3R)-3-(BOC-AMINO)-2-HYDROXY-4-(4-NITROPHENYL)BUTYRICACID
(2S,3R)-3-[(TERT-BUTOXYCARBONYL)AMINO]-2-HYDROXY-4-(4-NITROPHENYL)BUTANOIC ACID
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 579.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 304.5±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 83.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.26
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 254.9±3.0 cm3

Click to predict properties on the Chemicalize site


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