ChemSpider 2D Image | Methyl (15S,16S,18S)-10,23-bis[(ethylsulfanyl)methyl]-15-methyl-3-oxo-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 | C33H33N3O5S2

Methyl (15S,16S,18S)-10,23-bis[(ethylsulfanyl)methyl]-15-methyl-3-oxo-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 FormulaC33H33N3O5S2
  • Average mass615.762 Da
  • Monoisotopic mass615.186157 Da
  • ChemSpider ID117379

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(15S,16S,18S)-10,23-Bis[(éthylsulfanyl)méthyl]-15-méthyl-3-oxo-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-carb 
operoxoate de méthyle [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-carboperoxoic acid, 2,13-bis[(ethylthio)methyl]-6,7,8,9,16,17-hexahydro-6-methyl-15-oxo-, methyl ester, (6S,7S,9S)- [ACD/Index Name]
Methyl (15S,16S,18S)-10,23-bis[(ethylsulfanyl)methyl]-15-methyl-3-oxo-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,16S,18S)-10,23-bis[(ethylsulfanyl)methyl]-15-methyl-3-oxo-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-1 6-carboperoxoat [German] [ACD/IUPAC Name]
(5S,6S,8S)-methyl 2,11-bis((ethylthio)methyl)-5-methyl-13-oxo-6,7,8,13,14,15-hexahydro-5H-16-oxa-4b,8a,14-triaza-5,8-methanodibenzo[b,h]cycloocta[jkl]cyclopenta[e]-as-indacene-6-carboperoxoate
,20(25),21,23,26-nonaene-16-carboperoxoate
156177-65-0 [RN]
170587-65-2 [RN]
3,9-bis((ethylthio)methyl)-K-252a
3,9-bis(EtSM)-K-252a
More...

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

CEP-1347 [DBID]
CEP 1347 [DBID]
KT 7515 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.757
Molar Refractivity: 166.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 19101.60
ACD/KOC (pH 5.5): 40362.36
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 19101.60
ACD/KOC (pH 7.4): 40362.36
Polar Surface Area: 134 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 60.2±7.0 dyne/cm
Molar Volume: 405.9±7.0 cm3

Click to predict properties on the Chemicalize site


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