ChemSpider 2D Image | D-gamma-Glutamyl-S-{(1S,2S,3R,7R)-3-{[2,6-dideoxy-2-(methylammonio)-alpha-D-galactopyranosyl]oxy}-7-hydroxy-2-[(2-hydroxy-7-methoxy-5-methyl-1-naphthoyl)oxy]-7-[(4R)-2-oxo-1,3-dioxolan-4-yl]-1,2,3,7-t etrahydro-s-indacen-1-yl}-L-cysteinylglycine | C45H53N4O18S

D-γ-Glutamyl-S-{(1S,2S,3R,7R)-3-{[2,6-dideoxy-2-(methylammonio)-α-D-galactopyranosyl]oxy}-7-hydroxy-2-[(2-hydroxy-7-methoxy-5-methyl-1-naphthoyl)oxy]-7-[(4R)-2-oxo-1,3-dioxolan-4-yl]-1,2,3,7-t etrahydro-s-indacen-1-yl}-L-cysteinylglycine

  • Molecular FormulaC45H53N4O18S
  • Average mass969.983 Da
  • Monoisotopic mass969.307007 Da
  • ChemSpider ID394350

  • Charge - Charge

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

D-γ-Glutamyl-S-{(1S,2S,3R,7R)-3-{[2,6-dideoxy-2-(methylammonio)-α-D-galactopyranosyl]oxy}-7-hydroxy-2-[(2-hydroxy-7-methoxy-5-methyl-1-naphthoyl)oxy]-7-[(4R)-2-oxo-1,3-dioxolan-4-yl]-1,2,3,7-t etrahydro-s-indacen-1-yl}-L-cysteinylglycine [ACD/IUPAC Name]
Glycine, D-γ-glutamyl-S-[(1S,2S,3R,7R)-3-[[2,6-dideoxy-2-(methylammonio)-α-D-galactopyranosyl]oxy]-1,2,3,7-tetrahydro-7-hydroxy-2-[[(2-hydroxy-7-methoxy-5-methyl-1-naphthalenyl)carbonyl]oxy]-7 -[(4R)-2-oxo-1,3-dioxolan-4-yl]-s-indacen-1-yl]-L-cysteinyl- [ACD/Index Name]
NCG

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

Density:
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:
Molar Refractivity:
#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: 371 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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