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Search term: SXKIHSHTTWSCGF-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [4-(6-Oxo-1,6-dihydro-9H-purin-9-yl)butyl]phosphonic acid | C9H13N4O4P

[4-(6-Oxo-1,6-dihydro-9H-purin-9-yl)butyl]phosphonic acid

  • Molecular FormulaC9H13N4O4P
  • Average mass272.198 Da
  • Monoisotopic mass272.067444 Da
  • ChemSpider ID28479631

More details:

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

[4-(6-Oxo-1,6-dihydro-9H-purin-9-yl)butyl]phosphonic acid [ACD/IUPAC Name]
[4-(6-Oxo-1,6-dihydro-9H-purin-9-yl)butyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [4-(6-oxo-1,6-dihydro-9H-purin-9-yl)butyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [4-(1,6-dihydro-6-oxo-9H-purin-9-yl)butyl]- [ACD/Index Name]
1356921-13-5 [RN]
4-(6-Oxidanylidene-1~{h}-Purin-9-Yl)butylphosphonic Acid
6RH

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.737
Molar Refractivity: 62.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.54
ACD/LogD (pH 5.5): -5.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 92.3±7.0 dyne/cm
Molar Volume: 155.0±7.0 cm3

Click to predict properties on the Chemicalize site


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