ChemSpider 2D Image | LSP1-2111 | C12H17N2O9P

LSP1-2111

  • Molecular FormulaC12H17N2O9P
  • Average mass364.245 Da
  • Monoisotopic mass364.067169 Da
  • ChemSpider ID28189757

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-2-Amino-4-{hydroxy[hydroxy(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]phosphoryl}butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-{hydroxy[hydroxy(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]phosphoryl}butansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-4-{hydroxy[hydroxy(4-hydroxy-3-méthoxy-5-nitrophényl)méthyl]phosphoryl}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-4-[hydroxy[hydroxy(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]phosphinyl]-, (2S)- [ACD/Index Name]
LSP1-2111
(2S)-2-amino-4-(hydroxy(hydroxy(4-hydroxy-3-methoxy-5-nitrophenyl)methyl)phosphoryl)butanoic acid
936234-43-4 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 723.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 391.5±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 79.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.09
ACD/LogD (pH 5.5): -4.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 85.4±3.0 dyne/cm
Molar Volume: 224.6±3.0 cm3

Click to predict properties on the Chemicalize site


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