ChemSpider 2D Image | 2-Chloro-4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}-N-(1,1,5,5-tetrahydroxy-1,4-pentadien-2-yl)benzamide | C20H21ClN8O5

2-Chloro-4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}-N-(1,1,5,5-tetrahydroxy-1,4-pentadien-2-yl)benzamide

  • Molecular FormulaC20H21ClN8O5
  • Average mass488.884 Da
  • Monoisotopic mass488.132355 Da
  • ChemSpider ID95687153

More details:

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

2-Chlor-4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}-N-(1,1,5,5-tetrahydroxy-1,4-pentadien-2-yl)benzamid [German] [ACD/IUPAC Name]
2-Chloro-4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}-N-(1,1,5,5-tetrahydroxy-1,4-pentadien-2-yl)benzamide [ACD/IUPAC Name]
2-Chloro-4-{[(2,4-diamino-6-ptéridinyl)méthyl](méthyl)amino}-N-(1,1,5,5-tétrahydroxy-1,4-pentadién-2-yl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-chloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]-N-[1-(dihydroxymethylene)-4,4-dihydroxy-3-buten-1-yl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.805
Molar Refractivity: 126.6±0.3 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.07
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.57
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.20
Polar Surface Area: 217 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 108.7±3.0 dyne/cm
Molar Volume: 294.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement