ChemSpider 2D Image | (2S)-2-[(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]-5-[(2,5-dioxo-1-pyrrolidinyl)oxy]-5-oxopentanoic acid | C24H25N9O7

(2S)-2-[(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]-5-[(2,5-dioxo-1-pyrrolidinyl)oxy]-5-oxopentanoic acid

  • Molecular FormulaC24H25N9O7
  • Average mass551.511 Da
  • Monoisotopic mass551.187683 Da
  • ChemSpider ID2299922

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]-5-[(2,5-dioxo-1-pyrrolidinyl)oxy]-5-oxopentanoic acid [ACD/IUPAC Name]
(2S)-2-[(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]-5-[(2,5-dioxo-1-pyrrolidinyl)oxy]-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-[(4-{[(2,4-diamino-6-ptéridinyl)méthyl](méthyl)amino}benzoyl)amino]-5-[(2,5-dioxo-1-pyrrolidinyl)oxy]-5-oxopentanoïque [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, 5-(2,5-dioxo-1-pyrrolidinyl) ester [ACD/Index Name]
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid
98457-88-6 [RN]
Aminopterin N-hydroxysuccinimide ester
Nhs-aminopterin
N-Hydroxysuccinimide aminopterin

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: 1.719
Molar Refractivity: 136.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.98
ACD/LogD (pH 5.5): -2.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 237 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 107.8±5.0 dyne/cm
Molar Volume: 345.2±5.0 cm3

Click to predict properties on the Chemicalize site


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