ChemSpider 2D Image | (3R)-7'-Amino-1',3'-dimethyl-2,2',4'-trioxo-1,1',2,2',3',4'-hexahydrospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile | C17H13N5O4

(3R)-7'-Amino-1',3'-dimethyl-2,2',4'-trioxo-1,1',2,2',3',4'-hexahydrospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile

  • Molecular FormulaC17H13N5O4
  • Average mass351.316 Da
  • Monoisotopic mass351.096741 Da
  • ChemSpider ID894714

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-7'-Amino-1',3'-dimethyl-2,2',4'-trioxo-1,1',2,2',3',4'-hexahydrospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile [ACD/IUPAC Name]
Spiro[3H-indole-3,5'-[5H]pyrano[2,3-d]pyrimidine]-6'-carbonitrile, 7'-amino-1,1',2,2',3',4'-hexahydro-1',3'-dimethyl-2,2',4'-trioxo-, (3R)- [ACD/Index Name]

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

ZINC00714333 [DBID]

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: 1.751
Molar Refractivity: 87.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.38
ACD/KOC (pH 5.5): 172.75
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.29
ACD/KOC (pH 7.4): 171.13
Polar Surface Area: 129 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 92.8±5.0 dyne/cm
Molar Volume: 214.7±5.0 cm3

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