Deprecated ChemSpider Record

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ChemSpider 2D Image | [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-3-[3-oxo-3-[[(2R)-2-phosphonooxypropyl]amino]propyl]-2,7,12,17-tetrahydro-1H-corrin-21-yl]cobalt(1+) | C58H85CoN16O14P

[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-3-[3-oxo-3-[[(2R)-2-phosphonooxypropyl]amino]propyl]-2,7,12,17-tetrahydro-1H-corrin-21-yl]cobalt(1+)

  • Molecular FormulaC58H85CoN16O14P
  • Average mass1320.301 Da
  • Monoisotopic mass1319.550049 Da
  • ChemSpider ID21864728

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

Date of deprecation: 13:00, Oct 22, 2013
Reason for deprecation: Deprecate record: there are no supporting data sources.

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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

Adenosyl cobinamide phosphate
adenosylcobinamide phosphate

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 30
#H bond donors: 19
#Freely Rotating Bonds: 28
#Rule of 5 Violations:
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: 524 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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