ChemSpider 2D Image | 2-(5-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid | C20H20N8O5

2-(5-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid

  • Molecular FormulaC20H20N8O5
  • Average mass452.423 Da
  • Monoisotopic mass452.155670 Da
  • ChemSpider ID23281543

More details:

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

2-(5-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentandisäure [German] [ACD/IUPAC Name]
2-(5-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid [ACD/IUPAC Name]
2-(5-{[(2,4-diaminopteridin-6-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid
Acide 2-(5-{[(2,4-diamino-6-ptéridinyl)méthyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 2-[5-[[(2,4-diamino-6-pteridinyl)methyl]amino]-1,3-dihydro-1-oxo-2H-isoindol-2-yl]- [ACD/Index Name]
2-R,S-[5-[(2,4-diaminopteridin-6-yl)methylamino]-2,3-dihydro-1-oxo-2(1H)-isoindolyl]glutaric acid
CHEMBL388501
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL388501/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 892.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.9±3.0 kJ/mol
Flash Point: 493.6±37.1 °C
Index of Refraction: 1.802
Molar Refractivity: 116.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.03
ACD/LogD (pH 5.5): -4.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 125.0±3.0 dyne/cm
Molar Volume: 272.2±3.0 cm3

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