ChemSpider 2D Image | N-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}benzoyl)-gamma-glutamyl-gamma-glutamylglutamic acid | C29H33N9O12

N-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}benzoyl)-γ-glutamyl-γ-glutamylglutamic acid

  • Molecular FormulaC29H33N9O12
  • Average mass699.625 Da
  • Monoisotopic mass699.224854 Da
  • ChemSpider ID6702

More details:

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

Acide N-(4-{[(2-amino-4-oxo-1,4-dihydro-6-ptéridinyl)méthyl]amino}benzoyl)-γ-glutamyl-γ-glutamylglutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-γ-glutamyl-γ-glutamyl- [ACD/Index Name]
N-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}benzoyl)-γ-glutamyl-γ-glutamylglutamic acid [ACD/IUPAC Name]
N-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}benzoyl)-γ-glutamyl-γ-glutamylglutaminsäure [German] [ACD/IUPAC Name]
Pteroyltriglutamate
19360-01-1 [RN]
2-(4-{4-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]-4-carboxybutanamido}-4-carboxybutanamido)pentanedioic acid
2-(4-{4-[(4-{[(2-amino-4-oxo-1H-pteridin-6-yl)methyl]amino}phenyl)formamido]-4-carboxybutanamido}-4-carboxybutanamido)pentanedioic acid
33530-86-8 [RN]
34175-29-6 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC107141 [DBID]

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: 1.729
Molar Refractivity: 165.1±0.5 cm3
#H bond acceptors: 21
#H bond donors: 11
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -4.93
ACD/LogD (pH 5.5): -9.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 342 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 81.1±7.0 dyne/cm
Molar Volume: 414.2±7.0 cm3

Click to predict properties on the Chemicalize site


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