ChemSpider 2D Image | Dimethyl 2-{[{4-[({2-[(2,2-dimethylpropanoyl)amino]-4-oxo-1,4-dihydro-6-pteridinyl}methyl)amino]phenyl}(methoxy)phosphoryl]methyl}pentanedioate | C27H35N6O8P

Dimethyl 2-{[{4-[({2-[(2,2-dimethylpropanoyl)amino]-4-oxo-1,4-dihydro-6-pteridinyl}methyl)amino]phenyl}(methoxy)phosphoryl]methyl}pentanedioate

  • Molecular FormulaC27H35N6O8P
  • Average mass602.576 Da
  • Monoisotopic mass602.225403 Da
  • ChemSpider ID20574976

More details:

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

2-{[{4-[({2-[(2,2-Diméthylpropanoyl)amino]-4-oxo-1,4-dihydro-6-ptéridinyl}méthyl)amino]phényl}(méthoxy)phosphoryl]méthyl}pentanedioate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 2-{[{4-[({2-[(2,2-dimethylpropanoyl)amino]-4-oxo-1,4-dihydro-6-pteridinyl}methyl)amino]phenyl}(methoxy)phosphoryl]methyl}pentanedioate [ACD/IUPAC Name]
Dimethyl-2-{[{4-[({2-[(2,2-dimethylpropanoyl)amino]-4-oxo-1,4-dihydro-6-pteridinyl}methyl)amino]phenyl}(methoxy)phosphoryl]methyl}pentandioat [German] [ACD/IUPAC Name]
Pentanedioic acid, 2-[[[4-[[[2-[(2,2-dimethyl-1-oxopropyl)amino]-1,4-dihydro-4-oxo-6-pteridinyl]methyl]amino]phenyl]methoxyphosphinyl]methyl]-, dimethyl ester [ACD/Index Name]

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: 1.617
Molar Refractivity: 152.4±0.5 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: -1.01
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.55
ACD/KOC (pH 5.5): 86.12
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.13
ACD/KOC (pH 7.4): 75.93
Polar Surface Area: 197 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 435.5±7.0 cm3

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