Deprecated ChemSpider Record

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ChemSpider 2D Image | 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione; phosphoric acid | C9H18N2O14P2

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

  • Molecular FormulaC9H18N2O14P2
  • Average mass440.192 Da
  • Monoisotopic mass440.023010 Da
  • ChemSpider ID19952429
  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Date of deprecation: 15:47, Oct 11, 2013
Reason for deprecation: Deprecate record: name-to-structure conversion error

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

Boiling Point: 973.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 160.7±0.0 kJ/mol
Flash Point: 542.3±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
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: 294 Å2
Surface Tension:
Molar Volume:

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