ChemSpider 2D Image | O-[(2R)-2-Amino-3-(D-seryloxy)propanoyl]-N-(2,3-dihydroxybenzoyl)-L-serine | C16H21N3O10

O-[(2R)-2-Amino-3-(D-seryloxy)propanoyl]-N-(2,3-dihydroxybenzoyl)-L-serine

  • Molecular FormulaC16H21N3O10
  • Average mass415.352 Da
  • Monoisotopic mass415.122681 Da
  • ChemSpider ID25058032

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

O-[(2R)-2-Amino-3-(D-seryloxy)propanoyl]-N-(2,3-dihydroxybenzoyl)-L-serin [German] [ACD/IUPAC Name]
O-[(2R)-2-Amino-3-(D-seryloxy)propanoyl]-N-(2,3-dihydroxybenzoyl)-L-serine [ACD/IUPAC Name]
O-[(2R)-2-Amino-3-(D-séryloxy)propanoyl]-N-(2,3-dihydroxybenzoyl)-L-sérine [French] [ACD/IUPAC Name]
O-[(2R)-2-amino-3-(D-seryloxy)propanoyl]-N-[(2,3-dihydroxyphenyl)carbonyl]-L-serine
3ET

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

Density: 1.6±0.1 g/cm3
Boiling Point: 726.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 392.9±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 94.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -0.15
ACD/LogD (pH 5.5): -3.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 84.3±3.0 dyne/cm
Molar Volume: 266.3±3.0 cm3

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