ChemSpider 2D Image | N-[4-(1,3-Diamino-5,6,6a,7,8,9-hexahydropyrimido[5,4-e]indolizin-8-yl)benzoyl]glutamic acid | C22H26N6O5

N-[4-(1,3-Diamino-5,6,6a,7,8,9-hexahydropyrimido[5,4-e]indolizin-8-yl)benzoyl]glutamic acid

  • Molecular FormulaC22H26N6O5
  • Average mass454.479 Da
  • Monoisotopic mass454.196472 Da
  • ChemSpider ID23145440

More details:

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

Acide N-[4-(1,3-diamino-5,6,6a,7,8,9-hexahydropyrimido[5,4-e]indolizin-8-yl)benzoyl]glutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[4-(1,3-diamino-5,6,6a,7,8,9-hexahydropyrimido[5,4-e]indolizin-8-yl)benzoyl]- [ACD/Index Name]
N-[4-(1,3-Diamino-5,6,6a,7,8,9-hexahydropyrimido[5,4-e]indolizin-8-yl)benzoyl]glutamic acid [ACD/IUPAC Name]
N-[4-(1,3-Diamino-5,6,6a,7,8,9-hexahydropyrimido[5,4-e]indolizin-8-yl)benzoyl]glutaminsäure [German] [ACD/IUPAC Name]
2-[4-(7,9-Diamino-1,2,3,3a,4,5-hexahydro-6,8,9b-triaza-cyclopenta[a]naphthalen-2-yl)-benzoylamino]-pentanedioic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.705
Molar Refractivity: 116.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.21
ACD/LogD (pH 5.5): -2.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 96.4±5.0 dyne/cm
Molar Volume: 300.3±5.0 cm3

Click to predict properties on the Chemicalize site


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