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Search term: MCWCLJYOACGIMI (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (2-{[2-(6-Oxo-1,6-dihydro-9H-purin-9-yl)ethyl]amino}ethyl)phosphonic acid | C9H14N5O4P

(2-{[2-(6-Oxo-1,6-dihydro-9H-purin-9-yl)ethyl]amino}ethyl)phosphonic acid

  • Molecular FormulaC9H14N5O4P
  • Average mass287.212 Da
  • Monoisotopic mass287.078339 Da
  • ChemSpider ID28666254

More details:

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

(2-{[2-(6-Oxo-1,6-dihydro-9H-purin-9-yl)ethyl]amino}ethyl)phosphonic acid [ACD/IUPAC Name]
(2-{[2-(6-Oxo-1,6-dihydro-9H-purin-9-yl)ethyl]amino}ethyl)phosphonsäure [German] [ACD/IUPAC Name]
Acide (2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)éthyl]amino}éthyl)phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [2-[[2-(1,6-dihydro-6-oxo-9H-purin-9-yl)ethyl]amino]ethyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.754
Molar Refractivity: 65.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -3.39
ACD/LogD (pH 5.5): -5.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 96.2±7.0 dyne/cm
Molar Volume: 159.8±7.0 cm3

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