ChemSpider 2D Image | N-(2,3-Dihydroxybenzoyl)-O-{(2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoyl}-L-serine | C20H20N2O11

N-(2,3-Dihydroxybenzoyl)-O-{(2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoyl}-L-serine

  • Molecular FormulaC20H20N2O11
  • Average mass464.380 Da
  • Monoisotopic mass464.106720 Da
  • ChemSpider ID18534383

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2s-2-[(2,3-Dihydroxyphenyl)carbonylamino]-3-[(2s)-2-[(2,3-Dihydroxyphenyl)carbonylamino]-3-Hydroxy-Propanoyl]oxy-Propanoic Acid
30414-15-4 [RN]
N-(2,3-Dihydroxybenzoyl)-O-{(2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoyl}-L-serin [German] [ACD/IUPAC Name]
N-(2,3-Dihydroxybenzoyl)-O-{(2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoyl}-L-serine [ACD/IUPAC Name]
N-(2,3-Dihydroxybenzoyl)-O-{(2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoyl}-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-[(2,3-Dihydroxybenzoyl)amino]-3-[(2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoyl]oxypropanoic acid
2,3-dihydroxy-N-benzoylserine dimer
EHS
N-(2,3-dihydroxybenzoyl)-O-[N-(2,3-dihydroxybenzoyl)-L-seryl]-L-serine

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

Density: 1.6±0.0 g/cm3
Boiling Point: 869.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 132.4±0.0 kJ/mol
Flash Point: 479.6±0.0 °C
Index of Refraction: 1.680
Molar Refractivity: 108.6±0.0 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 1.86
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 223 Å2
Polarizability: 43.0±0.0 10-24cm3
Surface Tension: 90.6±0.0 dyne/cm
Molar Volume: 287.1±0.0 cm3

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