ChemSpider 2D Image | Staphyloferrin A | C17H24N2O14

Staphyloferrin A

  • Molecular FormulaC17H24N2O14
  • Average mass480.378 Da
  • Monoisotopic mass480.122742 Da
  • ChemSpider ID34449072

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

2-[2-({(1R)-1-Carboxy-4-[(3,4-dicarboxy-3-hydroxybutanoyl)amino]butyl}amino)-2-oxoethyl]-2-hydroxybernsteinsäure [German] [ACD/IUPAC Name]
2-[2-({(1R)-1-Carboxy-4-[(3,4-dicarboxy-3-hydroxybutanoyl)amino]butyl}amino)-2-oxoethyl]-2-hydroxysuccinic acid [ACD/IUPAC Name]
Acide 2-[2-({(1R)-1-carboxy-4-[(3,4-dicarboxy-3-hydroxybutanoyl)amino]butyl}amino)-2-oxoéthyl]-2-hydroxysuccinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[2-[[(1R)-1-carboxy-4-[(3,4-dicarboxy-3-hydroxy-1-oxobutyl)amino]butyl]amino]-2-oxoethyl]-2-hydroxy- [ACD/Index Name]
Staphyloferrin A
127902-98-1 [RN]
N(2),N(5)-di-(1-oxo-3-hydroxy-3,4-dicarboxybutyl)-D-ornithine

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

Density: 1.7±0.1 g/cm3
Boiling Point: 949.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.8±6.0 kJ/mol
Flash Point: 528.0±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 98.8±0.3 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: -2.59
ACD/LogD (pH 5.5): -9.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 285 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 95.1±3.0 dyne/cm
Molar Volume: 289.6±3.0 cm3

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