ChemSpider 2D Image | N-({8-[(7Z)-7-Hexadecenoylamino]-7-hydroxy-6,9-dioxo-1,5-diazonan-2-yl}carbonyl)seryl-N~5~-acetyl-N~5~-hydroxyornithylseryl-N~5~-acetyl-N~5~-hydroxyornithine | C44H75N9O16

N-({8-[(7Z)-7-Hexadecenoylamino]-7-hydroxy-6,9-dioxo-1,5-diazonan-2-yl}carbonyl)seryl-N5-acetyl-N5-hydroxyornithylseryl-N5-acetyl-N5-hydroxyornithine

  • Molecular FormulaC44H75N9O16
  • Average mass986.117 Da
  • Monoisotopic mass985.533203 Da
  • ChemSpider ID78444982

  • Double-bond stereo - Double-bond stereo

More details:

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

N-({8-[(7Z)-7-Hexadecenoylamino]-7-hydroxy-6,9-dioxo-1,5-diazonan-2-yl}carbonyl)seryl-N5-acetyl-N5-hydroxyornithylseryl-N5-acetyl-N5-hydroxyornithin [German] [ACD/IUPAC Name]
N-({8-[(7Z)-7-Hexadecenoylamino]-7-hydroxy-6,9-dioxo-1,5-diazonan-2-yl}carbonyl)seryl-N5-acetyl-N5-hydroxyornithylseryl-N5-acetyl-N5-hydroxyornithine [ACD/IUPAC Name]
N-({8-[(7Z)-7-Hexadecenoylamino]-7-hydroxy-6,9-dioxo-1,5-diazonan-2-yl}carbonyl)séryl-N5-acétyl-N5-hydroxyornithylséryl-N5-acétyl-N5-hydroxyornithine [French] [ACD/IUPAC Name]
Ornithine, N-[[octahydro-7-hydroxy-6,9-dioxo-8-[[(7Z)-1-oxo-7-hexadecen-1-yl]amino]-1H-1,5-diazonin-2-yl]carbonyl]seryl-N5-acetyl-N5-hydroxyornithylseryl-N5-acetyl-N5-hydroxy- [ACD/Index Name]
Marinobactin-D2

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: 1.586
Molar Refractivity: 247.2±0.4 cm3
#H bond acceptors: 25
#H bond donors: 13
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 3
ACD/LogP: 1.23
ACD/LogD (pH 5.5): -2.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 383 Å2
Polarizability: 98.0±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 736.4±5.0 cm3

Click to predict properties on the Chemicalize site


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