ChemSpider 2D Image | Methyl (15S,16R)-3-hydroxy-15-methyl-23-propoxy-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-1,3,6,8,10,12,20,22,24,26-decaene-16-carboperoxoate | C30H27N3O6

Methyl (15S,16R)-3-hydroxy-15-methyl-23-propoxy-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,3,6,8,10,12,20,22,24,26-decaene-16-carboperoxoate

  • Molecular FormulaC30H27N3O6
  • Average mass525.552 Da
  • Monoisotopic mass525.190002 Da
  • ChemSpider ID58816605

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(15S,16R)-3-Hydroxy-15-méthyl-23-propoxy-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,3,6,8,10,12,20,22,24,26-décaène-16-carboperoxoate de méthyl e [French] [ACD/IUPAC Name]
6,9-Epoxy-15H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-8-carboperoxoic acid, 6,7,8,9-tetrahydro-17-hydroxy-9-methyl-2-propoxy-, methyl ester, (8R,9S)- [ACD/Index Name]
Methyl (15S,16R)-3-hydroxy-15-methyl-23-propoxy-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,3,6,8,10,12,20,22,24,26-decaene-16-carboperoxoate [ACD/IUPAC Name]
Methyl-(15S,16R)-3-hydroxy-15-methyl-23-propoxy-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,3,6,8,10,12,20,22,24,26-decaen-16-carboperoxoat [German] [ACD/IUPAC Name]
126643-38-7 [RN]
PROTEIN KINASE INHIBITOR KT 5926

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

Density: 1.6±0.1 g/cm3
Boiling Point: 675.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 362.4±34.3 °C
Index of Refraction: 1.762
Molar Refractivity: 138.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 2993.86
ACD/KOC (pH 5.5): 8772.75
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 2986.24
ACD/KOC (pH 7.4): 8750.41
Polar Surface Area: 96 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 61.8±7.0 dyne/cm
Molar Volume: 336.2±7.0 cm3

Click to predict properties on the Chemicalize site


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