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Search term: 79715319 (Found by CSID)
ChemSpider 2D Image | woodybactin D | C22H38N2O10

woodybactin D

  • Molecular FormulaC22H38N2O10
  • Average mass490.544 Da
  • Monoisotopic mass490.252655 Da
  • ChemSpider ID79715319

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-[2-({(1S)-1-Carboxy-5-[decanoyl(hydroxy)amino]pentyl}amino)-2-oxoethyl]-2-hydroxybernsteinsäure [German] [ACD/IUPAC Name]
2-[2-({(1S)-1-Carboxy-5-[decanoyl(hydroxy)amino]pentyl}amino)-2-oxoethyl]-2-hydroxysuccinic acid [ACD/IUPAC Name]
Acide 2-[2-({(1S)-1-carboxy-5-[decanoyl(hydroxy)amino]pentyl}amino)-2-oxoéthyl]-2-hydroxysuccinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[2-[[(1S)-1-carboxy-5-[hydroxy(1-oxodecyl)amino]pentyl]amino]-2-oxoethyl]-2-hydroxy- [ACD/Index Name]
woodybactin D

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.537
Molar Refractivity: 119.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 2.17
ACD/LogD (pH 5.5): -3.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 381.3±3.0 cm3

Click to predict properties on the Chemicalize site


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