ChemSpider 2D Image | 18-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}phenyl)-3,8,13,18-tetraoxo-2-oxa-7,12,17-triazaoctadecane-6,11,16-tricarboxylic acid (non-preferred name) | C30H35N9O12

18-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}phenyl)-3,8,13,18-tetraoxo-2-oxa-7,12,17-triazaoctadecane-6,11,16-tricarboxylic acid (non-preferred name)

  • Molecular FormulaC30H35N9O12
  • Average mass713.652 Da
  • Monoisotopic mass713.240540 Da
  • ChemSpider ID95640401

More details:

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

18-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}phenyl)-3,8,13,18-tetraoxo-2-oxa-7,12,17-triazaoctadecan-6,11,16-tricarbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
18-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}phenyl)-3,8,13,18-tetraoxo-2-oxa-7,12,17-triazaoctadecane-6,11,16-tricarboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide 18-(4-{[(2-amino-4-oxo-1,4-dihydro-6-ptéridinyl)méthyl]amino}phényl)-3,8,13,18-tétraoxo-2-oxa-7,12,17-triazaoctadécane-6,11,16-tricarboxylique (non-preferred name) [French] [ACD/IUPAC Name]
Glutamic acid, N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-γ-glutamyl-γ-glutamyl-, 5-methyl ester [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.703
Molar Refractivity: 170.1±0.5 cm3
#H bond acceptors: 21
#H bond donors: 10
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -3.27
ACD/LogD (pH 5.5): -8.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 331 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 74.3±7.0 dyne/cm
Molar Volume: 438.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement