ChemSpider 2D Image | N-{4-[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-D-gamma-glutamyl-L-gamma-glutamyl-D-gamma-glutamyl-L-glutamic acid | C35H42N8O15

N-{4-[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-D-γ-glutamyl-L-γ-glutamyl-D-γ-glutamyl-L-glutamic acid

  • Molecular FormulaC35H42N8O15
  • Average mass814.753 Da
  • Monoisotopic mass814.276978 Da
  • ChemSpider ID26329668
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

Acide N-{4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)éthyl]benzoyl}-D-γ-glutamyl-L-γ-glutamyl-D-γ-glutamyl-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-D-γ-glutamyl-L-γ-glutamyl-D-γ-glutamyl- [ACD/Index Name]
N-{4-[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-D-γ-glutamyl-L-γ-glutamyl-D-γ-glutamyl-L-glutamic acid [ACD/IUPAC Name]
N-{4-[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-D-γ-glutamyl-L-γ-glutamyl-D-γ-glutamyl-L-glutaminsäure [German] [ACD/IUPAC Name]
(2S)-2-[(4R)-4-[(4S)-4-[(4R)-4-{[4-(2-{2-amino-4-oxo-3H,4H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid
(2S)-2-[(4R)-4-[(4S)-4-[(4R)-4-{[4-(2-{2-amino-4-oxopyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid
LY231514 TETRA GLU

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.700
Molar Refractivity: 192.3±0.5 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: -3.80
ACD/LogD (pH 5.5): -9.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 386 Å2
Polarizability: 76.2±0.5 10-24cm3
Surface Tension: 76.8±7.0 dyne/cm
Molar Volume: 497.2±7.0 cm3

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