ChemSpider 2D Image | deferrichrome | C27H45N9O12

deferrichrome

  • Molecular FormulaC27H45N9O12
  • Average mass687.699 Da
  • Monoisotopic mass687.318787 Da
  • ChemSpider ID31045982
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

Cyclo(glycyl-N5-acetyl-N5-hydroxy-L-ornithyl-N5-acetyl-N5-hydroxy-L-ornithyl-N5-acetyl-N5-hydroxy-L-ornithylglycylglycyl) [German] [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(glycyl-N5-acetyl-N5-hydroxy-L-ornithyl-N5-acetyl-N5-hydroxy-L-ornithyl-N5-acetyl-N5-hydroxy-L-ornithylglycylglycyl) [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(glycyl-N5-acétyl-N5-hydroxy-L-ornithyl-N5-acétyl-N5-hydroxy-L-ornithyl-N5-acétyl-N5-hydroxy-L-ornithylglycylglycyl) [French] [ACD/IUPAC Name]
deferrichrome
34787-28-5 [RN]
B
cyclo(glycyl-N(5)-acetyl-N(5)-hydroxy-L-ornithyl-N(5)-acetyl-N(5)-hydroxy-L-ornithyl-N(5)-acetyl-N(5)-hydroxy-L-ornithylglycylglycyl)
Desferrichrome
ferrichrome with no bound iron
N-{3-[(2S,5S,17S)-5,17-BIS[3-(N-HYDROXYACETAMIDO)PROPYL]-3,6,9,12,15,18-HEXAOXO-1,4,7,10,13,16-HEXAAZACYCLOOCTADECAN-2-YL]PROPYL}-N-HYDROXYACETAMIDE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.509
Molar Refractivity: 161.7±0.3 cm3
#H bond acceptors: 21
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -6.76
ACD/LogD (pH 5.5): -6.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 296 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 541.4±3.0 cm3

Click to predict properties on the Chemicalize site





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