ChemSpider 2D Image | {11-[(2S)-2-Butanyl]-3,7,9-trihydroxy-1,13-di(hydroxy-kappaO)-5-methyl-8H-benzo[gh]tetraphen-8-onato(2-)}[3,7,9-trihydroxy-1,13-di(hydroxy-kappaO)-11-isopropyl-5-methyl-8H-benzo[gh]tetraphen-8-onato(2 -)]borate(1-) | C51H38BO12

{11-[(2S)-2-Butanyl]-3,7,9-trihydroxy-1,13-di(hydroxy-κO)-5-methyl-8H-benzo[gh]tetraphen-8-onato(2-)}[3,7,9-trihydroxy-1,13-di(hydroxy-κO)-11-isopropyl-5-methyl-8H-benzo[gh]tetraphen-8-onato(2 -)]borate(1-)

  • Molecular FormulaC51H38BO12
  • Average mass853.652 Da
  • Monoisotopic mass853.246155 Da
  • ChemSpider ID40256661

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{11-[(2S)-2-Butanyl]-3,7,9-trihydroxy-1,13-di(hydroxy-κO)-5-methyl-8H-benzo[gh]tetraphen-8-onato(2-)}[3,7,9-trihydroxy-1,13-di(hydroxy-κO)-11-isopropyl-5-methyl-8H-benzo[gh]tetraphen-8-onato(2 -)]borat(1-) [German] [ACD/IUPAC Name]
{11-[(2S)-2-Butanyl]-3,7,9-trihydroxy-1,13-di(hydroxy-κO)-5-methyl-8H-benzo[gh]tetraphen-8-onato(2-)}[3,7,9-trihydroxy-1,13-di(hydroxy-κO)-11-isopropyl-5-methyl-8H-benzo[gh]tetraphen-8-onato(2 -)]borate(1-) [ACD/IUPAC Name]
{11-[(2S)-2-Butanyl]-3,7,9-trihydroxy-1,13-di(hydroxy-κO)-5-méthyl-8H-benzo[gh]tétraphén-8-onato(2-)}[3,7,9-trihydroxy-1,13-di(hydroxy-κO)-11-isopropyl-5-méthyl-8H-benzo[gh]tétraphén-8-onato(2 -)]borate(1-) [French] [ACD/IUPAC Name]
Borate(1-), [3,7,9-trihydroxy-1,13-di(hydroxy-κO)-5-methyl-11-(1-methylethyl)-8H-dibenz[a,de]anthracen-8-onato(2-)][3,7,9-trihydroxy-1,13-di(hydroxy-κO)-5-methyl-11-[(1S)-1-methylpropyl]-8H-di benz[a,de]anthracen-8-onato(2-)]- [ACD/Index 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: 12
#H bond donors: 6
#Freely Rotating Bonds: 3
#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: 192 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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