ChemSpider 2D Image | Methyl 1-(4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)-4-piperidinecarboxylate | C21H24N8O3

Methyl 1-(4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)-4-piperidinecarboxylate

  • Molecular FormulaC21H24N8O3
  • Average mass436.467 Da
  • Monoisotopic mass436.197144 Da
  • ChemSpider ID25060161

More details:

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

1-(4-{[(2,4-Diamino-6-ptéridinyl)méthyl]amino}benzoyl)-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, methyl ester [ACD/Index Name]
Methyl 1-(4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)-4-piperidinecarboxylate [ACD/IUPAC Name]
METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE
Methyl-1-(4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)-4-piperidincarboxylat [German] [ACD/IUPAC Name]
DVP
methyl 1-[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}phenyl)carbonyl]piperidine-4-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 731.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.4±35.7 °C
Index of Refraction: 1.720
Molar Refractivity: 120.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.22
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.49
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.17
ACD/KOC (pH 7.4): 38.77
Polar Surface Area: 162 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 88.9±3.0 dyne/cm
Molar Volume: 303.9±3.0 cm3

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