ChemSpider 2D Image | N~2~-Formyl-N~5~-hydroxy-L-ornithyl-(3R)-3-hydroxy-D-alpha-aspartyl-L-seryl-N-(4-aminobutyl)-N~5~-formyl-N~5~-hydroxy-L-ornithinamide | C23H42N8O12

N2-Formyl-N5-hydroxy-L-ornithyl-(3R)-3-hydroxy-D-α-aspartyl-L-seryl-N-(4-aminobutyl)-N5-formyl-N5-hydroxy-L-ornithinamide

  • Molecular FormulaC23H42N8O12
  • Average mass622.626 Da
  • Monoisotopic mass622.292236 Da
  • ChemSpider ID78436775

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Ornithinamide, N2-formyl-N5-hydroxy-L-ornithyl-(3R)-3-hydroxy-D-α-aspartyl-L-seryl-N-(4-aminobutyl)-N5-formyl-N5-hydroxy- [ACD/Index Name]
N2-Formyl-N5-hydroxy-L-ornithyl-(3R)-3-hydroxy-D-α-asparagyl-L-seryl-N-(4-aminobutyl)-N5-formyl-N5-hydroxy-L-ornithinamid [German] [ACD/IUPAC Name]
N2-Formyl-N5-hydroxy-L-ornithyl-(3R)-3-hydroxy-D-α-aspartyl-L-seryl-N-(4-aminobutyl)-N5-formyl-N5-hydroxy-L-ornithinamide [ACD/IUPAC Name]
N2-Formyl-N5-hydroxy-L-ornithyl-(3R)-3-hydroxy-D-α-aspartyl-L-séryl-N-(4-aminobutyl)-N5-formyl-N5-hydroxy-L-ornithinamide [French] [ACD/IUPAC Name]
Malleobactin B

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: 1.572
Molar Refractivity: 145.4±0.3 cm3
#H bond acceptors: 20
#H bond donors: 13
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -2.26
ACD/LogD (pH 5.5): -6.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 322 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 71.3±3.0 dyne/cm
Molar Volume: 441.7±3.0 cm3

Click to predict properties on the Chemicalize site


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