Deprecated ChemSpider Record

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ChemSpider 2D Image | [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[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-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]ethyl] hydrogen phosphate | C62H90N13O14P

[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[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-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]ethyl] hydrogen phosphate

  • Molecular FormulaC62H90N13O14P
  • Average mass1272.431 Da
  • Monoisotopic mass1271.646729 Da
  • ChemSpider ID2789

More details:

Date of deprecation: 17:45, Sep 10, 2015
Reason for deprecation: Deprecate record: no defined stereochemistry

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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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.690
Molar Refractivity: 322.7±0.5 cm3
#H bond acceptors: 27
#H bond donors: 17
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: -3.87
ACD/LogD (pH 5.5): -6.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 470 Å2
Polarizability: 127.9±0.5 10-24cm3
Surface Tension: 64.3±7.0 dyne/cm
Molar Volume: 843.8±7.0 cm3

Click to predict properties on the Chemicalize site

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