ChemSpider 2D Image | (3S)-4-Amino-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen phosphate | C6H14NO6P

(3S)-4-Amino-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen phosphate

  • Molecular FormulaC6H14NO6P
  • Average mass227.152 Da
  • Monoisotopic mass227.055878 Da
  • ChemSpider ID61714492
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-4-Amino-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen phosphate [ACD/IUPAC Name]
(3S)-4-Amino-3-hydroxy-2,2-dimethyl-4-oxobutyldihydrogenphosphat [German] [ACD/IUPAC Name]
Butanamide, 2-hydroxy-3,3-dimethyl-4-(phosphonooxy)-, (2S)- [ACD/Index Name]
Dihydrogénophosphate de (3S)-4-amino-3-hydroxy-2,2-diméthyl-4-oxobutyle [French] [ACD/IUPAC Name]
3-{[2-({N-[(2S)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-β-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid [ACD/IUPAC Name]
SXM

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 533.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.0±6.0 kJ/mol
Flash Point: 276.1±32.9 °C
Index of Refraction: 1.525
Molar Refractivity: 46.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.27
ACD/LogD (pH 5.5): -5.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 70.2±3.0 dyne/cm
Molar Volume: 151.8±3.0 cm3

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