ChemSpider 2D Image | (2S)-2-({[(3S)-3-Amino-3-carboxypropyl](hydroxy)phosphoryl}methyl)pentanedioic acid | C10H18NO8P

(2S)-2-({[(3S)-3-Amino-3-carboxypropyl](hydroxy)phosphoryl}methyl)pentanedioic acid

  • Molecular FormulaC10H18NO8P
  • Average mass311.226 Da
  • Monoisotopic mass311.076996 Da
  • ChemSpider ID25056741
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S)-2-({[(3S)-3-Amino-3-carboxypropyl](hydroxy)phosphoryl}methyl)pentandisäure [German] [ACD/IUPAC Name]
(2S)-2-({[(3S)-3-Amino-3-carboxypropyl](hydroxy)phosphoryl}methyl)pentanedioic acid [ACD/IUPAC Name]
(2s)-2-{[(S)-[(3s)-3-Amino-3-Carboxypropyl](Hydroxy)phosphoryl]methyl}pentanedioic Acid
Acide (2S)-2-({[(3S)-3-amino-3-carboxypropyl](hydroxy)phosphoryl}méthyl)pentanedioïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 2-[[[(3S)-3-amino-3-carboxypropyl]hydroxyphosphinyl]methyl]-, (2S)- [ACD/Index Name]
BIX

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

Density: 1.5±0.1 g/cm3
Boiling Point: 720.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 114.6±6.0 kJ/mol
Flash Point: 389.6±32.9 °C
Index of Refraction: 1.551
Molar Refractivity: 64.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -1.58
ACD/LogD (pH 5.5): -6.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 79.6±3.0 dyne/cm
Molar Volume: 203.6±3.0 cm3

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