ChemSpider 2D Image | gamma-Glutamyl-S-[3-{[2,6-dideoxy-2-(methylamino)hexopyranosyl]oxy}-7-hydroxy-2-[(2-hydroxy-7-methoxy-5-methyl-1-naphthoyl)oxy]-7-(2-oxo-1,3-dioxolan-4-yl)-1,2,3,7-tetrahydro-s-indacen-1-yl]cysteinylg lycine | C45H52N4O18S

γ-Glutamyl-S-[3-{[2,6-dideoxy-2-(methylamino)hexopyranosyl]oxy}-7-hydroxy-2-[(2-hydroxy-7-methoxy-5-methyl-1-naphthoyl)oxy]-7-(2-oxo-1,3-dioxolan-4-yl)-1,2,3,7-tetrahydro-s-indacen-1-yl]cysteinylg lycine

  • Molecular FormulaC45H52N4O18S
  • Average mass968.975 Da
  • Monoisotopic mass968.299744 Da
  • ChemSpider ID22377802

More details:

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

Glycine, γ-glutamyl-S-[3-[[2,6-dideoxy-2-(methylamino)hexopyranosyl]oxy]-1,2,3,7-tetrahydro-7-hydroxy-2-[[(2-hydroxy-7-methoxy-5-methyl-1-naphthalenyl)carbonyl]oxy]-7-(2-oxo-1,3-dioxolan-4-yl)-s-i ndacen-1-yl]cysteinyl- [ACD/Index Name]
γ-Glutamyl-S-[3-{[2,6-dideoxy-2-(methylamino)hexopyranosyl]oxy}-7-hydroxy-2-[(2-hydroxy-7-methoxy-5-methyl-1-naphthoyl)oxy]-7-(2-oxo-1,3-dioxolan-4-yl)-1,2,3,7-tetrahydro-s-indacen-1-yl]cysteinylg lycine [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1267.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 198.4±3.0 kJ/mol
Flash Point: 720.3±34.3 °C
Index of Refraction: 1.705
Molar Refractivity: 237.7±0.4 cm3
#H bond acceptors: 22
#H bond donors: 11
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 2.88
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 367 Å2
Polarizability: 94.2±0.5 10-24cm3
Surface Tension: 92.8±5.0 dyne/cm
Molar Volume: 611.9±5.0 cm3

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