ChemSpider 2D Image | Cyanocobalamin | C63H88CoN14O14P

Cyanocobalamin

  • Molecular FormulaC63H88CoN14O14P
  • Average mass1355.365 Da
  • Monoisotopic mass1354.567383 Da
  • ChemSpider ID10469504
  • Charge - Charge

    defined stereocentres - 13 of 14 defined stereocentres


More details:






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

Cyanocobalamin [Wiki] [REDIRECT]
(Cyano-κC)[(1R,2R,3R,4R,6Z,8S,11Z,13S,14S,16Z,18S,19S)-3,14,19-tris(2-amino-2-oxoethyl)-8,13,18-tris(3-amino-3-oxopropyl)-4-[3-({2-[({[(2R,3S,4R,5S)-5-(5,6-dimethyl-1H-benzimidazol-1-yl)-4-hydroxy
(Cyano-κC)[(1R,2R,3R,4R,6Z,8S,11Z,13S,14S,16Z,18S,19S)-3,14,19-tris(2-amino-2-oxoethyl)-8,13,18-tris(3-amino-3-oxopropyl)-4-[3-({2-[({[(2R,3S,4R,5S)-5-(5,6-dimethyl-1H-benzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}phosphinato)oxy]propyl}amino)-3-oxopropyl]-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-yl]cobalt
(cyano-κC)[(1R,2R,3R,4R,6Z,8S,11Z,13S,14S,16Z,18S,19S)-3,14,19-tris(2-amino-2-oxoéthyl)-8,13,18-tris(3-amino-3-oxopropyl)-4-[3-({2-[({[(2R,3S,4R,5S)-5-(5,6-diméthyl-1H-benzimidazol-1-yl)-4-hydroxy-2-(hydroxyméthyl)tétrahydrofuran-3-yl]oxy}phosphinato)oxy]propyl}amino)-3-oxopropyl]-1,4,6,9,9,14,16,19-octaméthyl-20,21,22,23-tétraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-5(23),6,10(22),11,15(21),16-hexaén-20-yl]cobalt
,11,15(21),16-hexaen-20-yl]cobalt
-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}phosphinato)oxy]propyl}amino)-3-oxopropyl]-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-5(23),6,10(22)
Anacobin
Antipernicin
B12
Bedodeka
More...

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

HSDB 2850 [DBID]
BRN 4122889 [DBID]
CCRIS 3955 [DBID]
NSC 80365 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 28
#H bond donors: 16
#Freely Rotating Bonds: 29
#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: 488 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Feedback Form