ChemSpider 2D Image | N-(3,5-Dibromo-4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)-L-glutamic acid | C19H18Br2N8O5

N-(3,5-Dibromo-4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)-L-glutamic acid

  • Molecular FormulaC19H18Br2N8O5
  • Average mass598.205 Da
  • Monoisotopic mass595.976685 Da
  • ChemSpider ID144565

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acide N-(3,5-dibromo-4-{[(2,4-diamino-6-ptéridinyl)méthyl]amino}benzoyl)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[3,5-dibromo-4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]- [ACD/Index Name]
N-(3,5-Dibrom-4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)-L-glutaminsäure [German] [ACD/IUPAC Name]
N-(3,5-Dibromo-4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)-L-glutamic acid [ACD/IUPAC Name]
1948-22-7 [RN]
3',5'-Dibromoaminopterin
L-Glutamic acid, N-(3,5-dibromo-4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.778
Molar Refractivity: 129.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -2.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 102.4±3.0 dyne/cm
Molar Volume: 309.5±3.0 cm3

Click to predict properties on the Chemicalize site


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