ChemSpider 2D Image | (4R)-4-[(4-{[(4-Amino-2-imino-2,3-dihydro-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]-5-methoxy-5-oxopentanoic acid (non-preferred name) | C21H24N8O5

(4R)-4-[(4-{[(4-Amino-2-imino-2,3-dihydro-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]-5-methoxy-5-oxopentanoic acid (non-preferred name)

  • Molecular FormulaC21H24N8O5
  • Average mass468.466 Da
  • Monoisotopic mass468.186981 Da
  • ChemSpider ID68024263

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-4-[(4-{[(4-Amino-2-imino-2,3-dihydro-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]-5-methoxy-5-oxopentanoic acid (non-preferred name) [ACD/IUPAC Name]
(4R)-4-[(4-{[(4-Amino-2-imino-2,3-dihydro-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]-5-methoxy-5-oxopentansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (4R)-4-[(4-{[(4-amino-2-imino-2,3-dihydro-6-ptéridinyl)méthyl](méthyl)amino}benzoyl)amino]-5-méthoxy-5-oxopentanoïque (non-preferred name) [French] [ACD/IUPAC Name]
D-Glutamic acid, N-[4-[[(4-amino-2,3-dihydro-2-imino-6-pteridinyl)methyl]methylamino]benzoyl]-, 1-methyl ester [ACD/Index Name]
67022-39-3 [RN]
Methotrexate γ-methyl ester
Methotrexate γ-Methyl Ester

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.705
Molar Refractivity: 119.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -1.79
ACD/LogD (pH 5.5): -2.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 195 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 66.4±7.0 dyne/cm
Molar Volume: 306.5±7.0 cm3

Click to predict properties on the Chemicalize site


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