ChemSpider 2D Image | {3,3',3'',3'''-[(4R,10S,14S,18S,19S)-3,9,14-Tris(carboxymethyl)-4,10,14,19,23-pentamethyl-21-oxo-22-oxa-24,25,26,27-tetraazahexacyclo[15.6.1.1~2,5~.1~7,10~.1~12,15~.0~1,19~]heptacosa-2,5(27),6,8,12,15 (25),16-heptaene-4,8,13,18-tetrayl-kappa~4~N~24~,N~25~,N~26~,N~27~]tetrapropanoato(2-)}cobalt | C45H52CoN4O16

{3,3',3'',3'''-[(4R,10S,14S,18S,19S)-3,9,14-Tris(carboxymethyl)-4,10,14,19,23-pentamethyl-21-oxo-22-oxa-24,25,26,27-tetraazahexacyclo[15.6.1.12,5.17,10.112,15.01,19]heptacosa-2,5(27),6,8,12,15 (25),16-heptaene-4,8,13,18-tetrayl-κ4N24,N25,N26,N27]tetrapropanoato(2-)}cobalt

  • Molecular FormulaC45H52CoN4O16
  • Average mass963.845 Da
  • Monoisotopic mass963.271057 Da
  • ChemSpider ID28532740

  • Charge - Charge

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

{3,3',3'',3'''-[(4R,10S,14S,18S,19S)-3,9,14-Tris(carboxymethyl)-4,10,14,19,23-pentamethyl-21-oxo-22-oxa-24,25,26,27-tetraazahexacyclo[15.6.1.12,5.17,10.112,15.01,19]heptacosa-2,5(27),6,8,12,15 (25),16-heptaen-4,8,13,18-tetrayl-κ4N24,N25,N26,N27]tetrapropanoato(2-)}cobalt [German] [ACD/IUPAC Name]
{3,3',3'',3'''-[(4R,10S,14S,18S,19S)-3,9,14-Tris(carboxyméthyl)-4,10,14,19,23-pentaméthyl-21-oxo-22-oxa-24,25,26,27-tétraazahexacyclo[15.6.1.12,5.17,10.112,15.01,19]heptacosa-2,5(27),6,8,12,15 (25),16-heptaène-4,8,13,18-tétrayl-κ4N24,N25,N26,N27]tetrapropanato(2-)}cobalt [French] [ACD/IUPAC Name]
{3,3',3'',3'''-[(4R,10S,14S,18S,19S)-3,9,14-Tris(carboxymethyl)-4,10,14,19,23-pentamethyl-21-oxo-22-oxa-24,25,26,27-tetraazahexacyclo[15.6.1.12,5.17,10.112,15.01,19]heptacosa-2,5(27),6,8,12,15 (25),16-heptaene-4,8,13,18-tetrayl-κ4N24,N25,N26,N27]tetrapropanoato(2-)}cobalt [ACD/IUPAC Name]
Cobalt-precorrin 5A
cobalt-precorrin-5A

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: 20
#H bond donors: 7
#Freely Rotating Bonds: 18
#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: 300 Å2
Polarizability:
Surface Tension:
Molar Volume:

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