ChemSpider 2D Image | 3-Hydroxy-N-[(7Z)-7-tetradecenoyl]-alpha-aspartylserylserylglutaminyl-N~5~-acetyl-N~5~-hydroxyornithylseryl-N~5~-acetyl-N~5~-hydroxyornithine | C46H78N10O20

3-Hydroxy-N-[(7Z)-7-tetradecenoyl]-α-aspartylserylserylglutaminyl-N5-acetyl-N5-hydroxyornithylseryl-N5-acetyl-N5-hydroxyornithine

  • Molecular FormulaC46H78N10O20
  • Average mass1091.167 Da
  • Monoisotopic mass1090.539429 Da
  • ChemSpider ID78444987
  • Double-bond stereo - Double-bond stereo


More details:






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

3-Hydroxy-N-[(7Z)-7-tetradecenoyl]-α-asparagylserylserylglutaminyl-N5-acetyl-N5-hydroxyornithylseryl-N5-acetyl-N5-hydroxyornithin [German] [ACD/IUPAC Name]
3-Hydroxy-N-[(7Z)-7-tetradecenoyl]-α-aspartylserylserylglutaminyl-N5-acetyl-N5-hydroxyornithylseryl-N5-acetyl-N5-hydroxyornithine [ACD/IUPAC Name]
3-Hydroxy-N-[(7Z)-7-tetradecenoyl]-α-aspartylsérylsérylglutaminyl-N5-acétyl-N5-hydroxyornithylséryl-N5-acétyl-N5-hydroxyornithine [French] [ACD/IUPAC Name]
Ornithine, 3-hydroxy-N-[(7Z)-1-oxo-7-tetradecen-1-yl]-α-aspartylserylserylglutaminyl-N5-acetyl-N5-hydroxyornithylseryl-N5-acetyl-N5-hydroxy- [ACD/Index Name]
Aquachelin C

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: 1.565
Molar Refractivity: 263.7±0.3 cm3
#H bond acceptors: 30
#H bond donors: 17
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 0.52
ACD/LogD (pH 5.5): -5.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 483 Å2
Polarizability: 104.5±0.5 10-24cm3
Surface Tension: 65.0±3.0 dyne/cm
Molar Volume: 809.9±3.0 cm3

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