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

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

  • Molecular FormulaC20H21ClN8O5
  • Average mass488.884 Da
  • Monoisotopic mass488.132355 Da
  • ChemSpider ID95750420

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-[(2Z)-1,1,5,5-tetrahydroxy-4-penten-2-yliden]benzamid [German] [ACD/IUPAC Name]
2-Chloro-4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}-N-[(2Z)-1,1,5,5-tetrahydroxy-4-penten-2-ylidene]benzamide [ACD/IUPAC Name]
2-Chloro-4-{[(2,4-diamino-6-ptéridinyl)méthyl](méthyl)amino}-N-[(2Z)-1,1,5,5-tétrahydroxy-4-pentén-2-ylidène]benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-chloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]-N-[(1Z)-1-(dihydroxymethyl)-4,4-dihydroxy-3-buten-1-ylidene]- [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: 911.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.8±3.0 kJ/mol
Flash Point: 505.0±37.1 °C
Index of Refraction: 1.751
Molar Refractivity: 118.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.70
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.73
ACD/KOC (pH 7.4): 51.15
Polar Surface Area: 217 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 75.6±7.0 dyne/cm
Molar Volume: 291.4±7.0 cm3

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