ChemSpider 2D Image | Methyl (15S,16R,18R)-15-methyl-3-oxo-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-1,6,8,10,12,20,22,24,26-nonaene-16-carboperoxoate | C30H27N3O6

Methyl (15S,16R,18R)-15-methyl-3-oxo-23-propoxy-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboperoxoate

  • Molecular FormulaC30H27N3O6
  • Average mass525.552 Da
  • Monoisotopic mass525.190002 Da
  • ChemSpider ID108926

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(15S,16R,18R)-15-Méthyl-3-oxo-23-propoxy-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaène-16-carboperoxoate de méthyle [French] [ACD/IUPAC Name]
126643-38-7 [RN]
6,9-Epoxy-15H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-7-carboperoxoic acid, 6,7,8,9,16,17-hexahydro-6-methyl-15-oxo-13-propoxy-, methyl ester, (6S,7R,9R)- [ACD/Index Name]
Methyl (15S,16R,18R)-15-methyl-3-oxo-23-propoxy-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboperoxoate [ACD/IUPAC Name]
Methyl-(15S,16R,18R)-15-methyl-3-oxo-23-propoxy-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-16-carboperoxoat [German] [ACD/IUPAC Name]
9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-16-propoxy-, methyl ester, (9α,10β,12α)-9-Hydroxy-9-methoxycarbonyl-8-methyl-14-n-propoxy-2,3,9,10-tetrahydro-8,11-epoxy-1H,8H,11H-2,7b,11a-triazadibenzo(a,g)cycloocta(cde)trinden-1-one
9-hydroxy-9-methoxycarbonyl-8-methyl-14-n-propoxy-2,3,9,10-tetrahydro-8,11-epoxy-1H,8H,11H-2,7b,11a-triazadibenzo(a,g)cycloocta(cde)trinden-1-one

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

1YP81K304O [DBID]
KT-5926 [DBID]
KT 5926 [DBID]
UNII:1YP81K304O [DBID]
UNII-1YP81K304O [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
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: 5.31
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3131.11
ACD/KOC (pH 5.5): 11061.55
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3131.11
ACD/KOC (pH 7.4): 11061.55
Polar Surface Area: 93 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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