Deprecated ChemSpider Record

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ChemSpider 2D Image | [[(2R,3R,4R,5R)-5-[(6R)-6-amino-1,2,3,6-tetrahydropurin-3-ium-9-yl]-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate | C15H29N5O17P3

[[(2R,3R,4R,5R)-5-[(6R)-6-amino-1,2,3,6-tetrahydropurin-3-ium-9-yl]-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate

  • Molecular FormulaC15H29N5O17P3
  • Average mass644.335 Da
  • Monoisotopic mass644.077000 Da
  • ChemSpider ID25057199

  • Charge - Charge

    defined stereocentres - 9 of 9 defined stereocentres

More details:

Date of deprecation: 13:01, Oct 22, 2013
Reason for deprecation: Deprecate record: there are no supporting data sources.

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

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

Density:
Boiling Point: 1066.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 163.6±0.0 kJ/mol
Flash Point: 598.6±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 22
#H bond donors: 12
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 370 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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