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ChemSpider 2D Image | [5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yldihydrogen-diphosphat | C16H25N5O15P2

[5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yldihydrogen-diphosphat

  • Molecular FormulaC16H25N5O15P2
  • Average mass589.342 Da
  • Monoisotopic mass589.082214 Da
  • ChemSpider ID438

More details:

Date of deprecation: 14:58, Apr 10, 2015
Reason for deprecation: Deprecate record: 9 undefined stereocentres

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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

[5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl 3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate [ACD/IUPAC Name]
[5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yldihydrogen-diphosphat
[5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl 3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate [ACD/IUPAC Name]
[5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yldihydrogendiphosphat [German] [ACD/IUPAC Name]
Dihydrogène diphosphate de [5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de 3,4,5-trihydroxy-6-méthyltétrahydro-2H-pyran-2-yle
Dihydrogénodiphosphate de [5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de 3,4,5-trihydroxy-6-méthyltétrahydro-2H-pyran-2-yle [French] [ACD/IUPAC Name]
2-amino-9-[3,4-dihydroxy-5-[[hydroxy-[hydroxy-(3,4,5-trihydroxy- 6-methyl-tetrahydropyran-2-yl)oxy-phosphinoyl]oxy-phosphinoyl] oxymethyl]tetrahydrofuran-2-yl]-1,9-dihydropurin-6-one
GDP-fucose
Guanosine diphosphate fucose

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

CPD-353 [DBID]
G4401_SIGMA [DBID]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 1006.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.9±3.0 kJ/mol
Flash Point: 562.6±37.1 °C
Index of Refraction: 1.869
Molar Refractivity: 110.1±0.5 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.95
ACD/LogD (pH 5.5): -8.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 327 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 146.0±7.0 dyne/cm
Molar Volume: 242.5±7.0 cm3

Click to predict properties on the Chemicalize site


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