ChemSpider 2D Image | Coelichelin | C21H39N7O11

Coelichelin

  • Molecular FormulaC21H39N7O11
  • Average mass565.575 Da
  • Monoisotopic mass565.270752 Da
  • ChemSpider ID2497530

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Coelichelin
L-Ornithine, N2-(N5-formyl-N5-hydroxy-D-ornithyl)-N5-(N5-formyl-N5-hydroxy-D-ornithyl-D-allothreonyl)-N5-hydroxy- [ACD/Index Name]
N2-(N5-Formyl-N5-hydroxy-D-ornithyl)-N5-(N5-formyl-N5-hydroxy-D-ornithyl-D-allothreonyl)-N5-hydroxy-L-ornithin [German] [ACD/IUPAC Name]
N2-(N5-Formyl-N5-hydroxy-D-ornithyl)-N5-(N5-formyl-N5-hydroxy-D-ornithyl-D-allothreonyl)-N5-hydroxy-L-ornithine [ACD/IUPAC Name]
N2-(N5-Formyl-N5-hydroxy-D-ornithyl)-N5-(N5-formyl-N5-hydroxy-D-ornithyl-D-allothréonyl)-N5-hydroxy-L-ornithine [French] [ACD/IUPAC Name]
2-[2-Amino-5-(formyl-hydroxy-amino)-pentanoylamino]-5-({2-[2-amino-5-(formyl-hydroxy-amino)-pentanoylamino]-3-hydroxy-butyryl}-hydroxy-amino)-pentanoic acid
N(2)-(N(5)-formyl-N(5)-hydroxy-D-ornithyl)-N(5)-(N(5)-formyl-N(5)-hydroxy-D-ornithyl-D-allothreonyl)-N(5)-hydroxy-L-ornithine

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

nchembio731-comp3 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.588
Molar Refractivity: 132.7±0.3 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -3.22
ACD/LogD (pH 5.5): -7.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 289 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 76.7±3.0 dyne/cm
Molar Volume: 394.5±3.0 cm3

Click to predict properties on the Chemicalize site


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