ChemSpider 2D Image | (2S)-2-({[(1S)-1-Amino-3-methylbutyl](hydroxy)phosphoryl}methyl)-4-methylpentanoic acid | C12H26NO4P

(2S)-2-({[(1S)-1-Amino-3-methylbutyl](hydroxy)phosphoryl}methyl)-4-methylpentanoic acid

  • Molecular FormulaC12H26NO4P
  • Average mass279.313 Da
  • Monoisotopic mass279.159943 Da
  • ChemSpider ID23296553

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-({[(1S)-1-Amino-3-methylbutyl](hydroxy)phosphoryl}methyl)-4-methylpentanoic acid [ACD/IUPAC Name]
(2S)-2-({[(1S)-1-Amino-3-methylbutyl](hydroxy)phosphoryl}methyl)-4-methylpentansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-({[(1S)-1-amino-3-méthylbutyl](hydroxy)phosphoryl}méthyl)-4-méthylpentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 2-[[[(1S)-1-amino-3-methylbutyl]hydroxyphosphinyl]methyl]-4-methyl-, (2S)- [ACD/Index Name]
(S)-2-[((S)-1-amino-3-methyl-butyl)-hydroxy-phosphinoylmethyl]-4-methyl-pentanoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 498.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.9±6.0 kJ/mol
Flash Point: 255.2±24.6 °C
Index of Refraction: 1.484
Molar Refractivity: 71.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): -2.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 248.1±3.0 cm3

Click to predict properties on the Chemicalize site


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