ChemSpider 2D Image | {3,3',3'',3'''-[(4R,11Z,13S,14S,16Z,18S,19S)-3,9,14-Tris(carboxymethyl)-4,14,19,23-tetramethyl-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),7,9, 11,15(25),16-heptaene-4,8,13,18-tetrayl-kappa~2~N~24~,N~26~]tetrapropanoato(2-)}cobalt | C44H50CoN4O16

{3,3',3'',3'''-[(4R,11Z,13S,14S,16Z,18S,19S)-3,9,14-Tris(carboxymethyl)-4,14,19,23-tetramethyl-21-oxo-22-oxa-24,25,26,27-tetraazahexacyclo[15.6.1.12,5.17,10.112,15.01,19]heptacosa-2,5(27),7,9, 11,15(25),16-heptaene-4,8,13,18-tetrayl-κ2N24,N26]tetrapropanoato(2-)}cobalt

  • Molecular FormulaC44H50CoN4O16
  • Average mass949.818 Da
  • Monoisotopic mass949.255371 Da
  • ChemSpider ID30791127

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    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,11Z,13S,14S,16Z,18S,19S)-3,9,14-Tris(carboxymethyl)-4,14,19,23-tetramethyl-21-oxo-22-oxa-24,25,26,27-tetraazahexacyclo[15.6.1.12,5.17,10.112,15.01,19]heptacosa-2,5(27),7,9, 11,15(25),16-heptaen-4,8,13,18-tetrayl-κ2N24,N26]tetrapropanoato(2-)}cobalt [German] [ACD/IUPAC Name]
{3,3',3'',3'''-[(4R,11Z,13S,14S,16Z,18S,19S)-3,9,14-Tris(carboxyméthyl)-4,14,19,23-tétraméthyl-21-oxo-22-oxa-24,25,26,27-tétraazahexacyclo[15.6.1.12,5.17,10.112,15.01,19]heptacosa-2,5(27),7,9, 11,15(25),16-heptaène-4,8,13,18-tétrayl-κ2N24,N26]tetrapropanato(2-)}cobalt [French] [ACD/IUPAC Name]
{3,3',3'',3'''-[(4R,11Z,13S,14S,16Z,18S,19S)-3,9,14-Tris(carboxymethyl)-4,14,19,23-tetramethyl-21-oxo-22-oxa-24,25,26,27-tetraazahexacyclo[15.6.1.12,5.17,10.112,15.01,19]heptacosa-2,5(27),7,9, 11,15(25),16-heptaene-4,8,13,18-tetrayl-κ2N24,N26]tetrapropanoato(2-)}cobalt [ACD/IUPAC Name]

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: 320 Å2
Polarizability:
Surface Tension:
Molar Volume:

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