ChemSpider 2D Image | Ethyl (15S,16S,18R)-10,16-dihydroxy-15-methyl-3,5-dioxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1~15,18~.0~2,6~.0~7,27~.0~8,13~.0~19,26~.0~20,25~]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate | C28H21N3O7

Ethyl (15S,16S,18R)-10,16-dihydroxy-15-methyl-3,5-dioxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate

  • Molecular FormulaC28H21N3O7
  • Average mass511.482 Da
  • Monoisotopic mass511.137939 Da
  • ChemSpider ID8111794

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(15S,16S,18R)-10,16-Dihydroxy-15-méthyl-3,5-dioxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaène-16-carboxylate d'éth yle [French] [ACD/IUPAC Name]
6,9-Epoxy-15H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-7-carboxylic acid, 6,7,8,9,16,17-hexahydro-2,7-dihydroxy-6-methyl-15,17-dioxo-, ethyl ester, (6S,7S,9R)- [ACD/Index Name]
Ethyl (15S,16S,18R)-10,16-dihydroxy-15-methyl-3,5-dioxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate [ACD/IUPAC Name]
Ethyl-(15S,16S,18R)-10,16-dihydroxy-15-methyl-3,5-dioxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-16-carboxylat [German] [ACD/IUPAC Name]
Indocarbazostatin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.856
Molar Refractivity: 129.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 596.29
ACD/KOC (pH 5.5): 3374.58
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 576.53
ACD/KOC (pH 7.4): 3262.76
Polar Surface Area: 132 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 80.6±7.0 dyne/cm
Molar Volume: 289.2±7.0 cm3

Click to predict properties on the Chemicalize site


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