ChemSpider 2D Image | CSID:17290373 | C58H88N22O17S4

  • Molecular FormulaC58H88N22O17S4
  • Average mass1493.717 Da
  • Monoisotopic mass1492.558105 Da
  • ChemSpider ID17290373

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

Glycyl-N-[(1R,7S,10S,13S,16S,19R,24R,27S,33S,36S,43R)-7-(4-aminobutyl)-10-(2-amino-2-oxoethyl)-19-carbamoyl-13-(4-hydroxybenzyl)-16-(hydroxymethyl)-27-(1H-imidazol-4-ylmethyl)-36-methyl-2,5,8,11,14,17 ;,25,28,34,37,44-undecaoxo-21,22,40,41-tetrathia-3,6,9,12,15,18,26,29,35,38,45-undecaazatricyclo[22.14.7.029,33]pentatetracont-43-yl]-L-argininamid [German] [ACD/IUPAC Name]
Glycyl-N-[(1R,7S,10S,13S,16S,19R,24R,27S,33S,36S,43R)-7-(4-aminobutyl)-10-(2-amino-2-oxoéthyl)-19-carbamoyl-13-(4-hydroxybenzyl)-16-(hydroxyméthyl)-27-(1H-imidazol-4-ylméthyl)-36-méthyl-2,5,8,11,14,17 ;,25,28,34,37,44-undécaoxo-21,22,40,41-tétrathia-3,6,9,12,15,18,26,29,35,38,45-undécaazatricyclo[22.14.7.029,33]pentatétracont-43-yl]-L-argininamide [French] [ACD/IUPAC Name]
88217-10-1 [RN]
GLY-ARG-CYS-CYS-HIS-PRO-ALA-CYS-GLY-LYS-ASN-TYR-SER-CYS-NH2

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.754
Molar Refractivity: 363.9±0.5 cm3
#H bond acceptors: 39
#H bond donors: 27
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: -10.35
ACD/LogD (pH 5.5): -16.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -14.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 740 Å2
Polarizability: 144.3±0.5 10-24cm3
Surface Tension: 82.3±7.0 dyne/cm
Molar Volume: 889.9±7.0 cm3

Click to predict properties on the Chemicalize site


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