ChemSpider 2D Image | AB-NECA | C20H23N7O6

AB-NECA

  • Molecular FormulaC20H23N7O6
  • Average mass457.440 Da
  • Monoisotopic mass457.170990 Da
  • ChemSpider ID34948124

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-{[(Ethylamino)(oxo)acetyl]amino}-N-phenyladenosin [German] [ACD/IUPAC Name]
2-{[(Ethylamino)(oxo)acetyl]amino}-N-phenyladenosine [ACD/IUPAC Name]
2-{[2-(Éthylamino)-2-oxoacétyl]amino}-N-phényladénosine [French] [ACD/IUPAC Name]
AB-NECA
Adenosine, 2-[[2-(ethylamino)-1,2-dioxoethyl]amino]-N-phenyl- [ACD/Index Name]
aminobenzyl-5'-N-ethylcarboxamidoadenosine
N'-[6-anilino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-ethyloxamide

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: 1.766
Molar Refractivity: 112.3±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.46
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.97
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.27
Polar Surface Area: 184 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 75.7±7.0 dyne/cm
Molar Volume: 271.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement