Deprecated ChemSpider Record

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ChemSpider 2D Image | 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one; phosphoric acid | C9H22N3O17P3

4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one; phosphoric acid

  • Molecular FormulaC9H22N3O17P3
  • Average mass537.202 Da
  • Monoisotopic mass537.015991 Da
  • ChemSpider ID19952488

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Date of deprecation: 18:23, Jul 23, 2013
Reason for deprecation: Deprecate record: clear name-to-structure issue

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

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

Density:
Boiling Point: 1182.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 197.7±0.0 kJ/mol
Flash Point: 669.1±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 20
#H bond donors: 14
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 391 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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