ChemSpider 2D Image | O-[(2S)-2-Amino-3-hydroxypropanoyl]-N-(2,3-dihydroxybenzoyl)-L-serine | C13H16N2O8

O-[(2S)-2-Amino-3-hydroxypropanoyl]-N-(2,3-dihydroxybenzoyl)-L-serine

  • Molecular FormulaC13H16N2O8
  • Average mass328.275 Da
  • Monoisotopic mass328.090668 Da
  • ChemSpider ID26329084
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

O-[(2S)-2-Amino-3-hydroxypropanoyl]-N-(2,3-dihydroxybenzoyl)-L-serin [German] [ACD/IUPAC Name]
O-[(2S)-2-Amino-3-hydroxypropanoyl]-N-(2,3-dihydroxybenzoyl)-L-serine [ACD/IUPAC Name]
O-[(2S)-2-Amino-3-hydroxypropanoyl]-N-(2,3-dihydroxybenzoyl)-L-sérine [French] [ACD/IUPAC Name]
TD1

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

Density: 1.6±0.1 g/cm3
Boiling Point: 714.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.6±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 75.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.07
ACD/LogD (pH 5.5): -3.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 85.6±3.0 dyne/cm
Molar Volume: 209.2±3.0 cm3

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