ChemSpider 2D Image | (2R)-2-({[(1R)-1-Amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl}methyl)succinic acid | C13H18NO7P

(2R)-2-({[(1R)-1-Amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl}methyl)succinic acid

  • Molecular FormulaC13H18NO7P
  • Average mass331.258 Da
  • Monoisotopic mass331.082092 Da
  • ChemSpider ID26328430

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-({[(1R)-1-Amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl}methyl)bernsteinsäure [German] [ACD/IUPAC Name]
(2R)-2-({[(1R)-1-Amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl}methyl)succinic acid [ACD/IUPAC Name]
(2r)-2-{[(S)-[(1r)-1-Amino-2-(4-Hydroxyphenyl)ethyl](Hydroxy)phosphoryl]methyl}butanedioic Acid
Acide (2R)-2-({[(1R)-1-amino-2-(4-hydroxyphényl)éthyl](hydroxy)phosphoryl}méthyl)succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[[[(1R)-1-amino-2-(4-hydroxyphenyl)ethyl]hydroxyphosphinyl]methyl]-, (2R)- [ACD/Index Name]
P4D

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

Density: 1.5±0.1 g/cm3
Boiling Point: 693.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 373.4±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 75.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.50
ACD/LogD (pH 5.5): -4.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 80.2±3.0 dyne/cm
Molar Volume: 218.5±3.0 cm3

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