ChemSpider 2D Image | 5-Butoxy-2-[(4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]-5-oxopentanoic acid | C24H30N8O5

5-Butoxy-2-[(4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]-5-oxopentanoic acid

  • Molecular FormulaC24H30N8O5
  • Average mass510.546 Da
  • Monoisotopic mass510.233917 Da
  • ChemSpider ID90786

More details:

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

5-Butoxy-2-[(4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]-5-oxopentanoic acid [ACD/IUPAC Name]
5-Butoxy-2-[(4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]-5-oxopentansäure [German] [ACD/IUPAC Name]
5-butoxy-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)amino]-5-oxopentanoic acid (non-preferred name)
Acide 5-butoxy-2-[(4-{[(2,4-diamino-6-ptéridinyl)méthyl](méthyl)amino}benzoyl)amino]-5-oxopentanoïque [French] [ACD/IUPAC Name]
Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, 5-butyl ester [ACD/Index Name]
(γ-n-Bu)2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid 5-butyl ester
5-BUTOXY-2-[(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}PHENYL)FORMAMIDO]-5-OXOPENTANOIC ACID
5-Monobutyl methotrexate
66147-31-7 [RN]
γ-Mbmtx

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

NSC 305986 [DBID]
NSC305986 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 137.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.60
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 74.5±3.0 dyne/cm
Molar Volume: 370.6±3.0 cm3

Click to predict properties on the Chemicalize site


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