ChemSpider 2D Image | Ethyl [(2S,3S,4R,6S)-3-methoxy-2-methyl-16,18-dioxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1~2,6~.0~7,28~.0~8,13~.0~15,19~.0~20,27~.0~21,26~]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]methylcarbamate | C31H28N4O6

Ethyl [(2S,3S,4R,6S)-3-methoxy-2-methyl-16,18-dioxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]methylcarbamate

  • Molecular FormulaC31H28N4O6
  • Average mass552.577 Da
  • Monoisotopic mass552.200867 Da
  • ChemSpider ID117021

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2S,3S,4R,6S)-3-Méthoxy-2-méthyl-16,18-dioxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaén-4-yl]méthylcarbamate d'éthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(6S,7S,8R,10S)-7,8,9,10,17,18-hexahydro-7-methoxy-6-methyl-16,18-dioxo-6,10-epoxy-6H,16H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-8-yl]-N-methyl-, ethyl ester [ACD/Index Name]
Ethyl [(2S,3S,4R,6S)-3-methoxy-2-methyl-16,18-dioxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]methylcarbamate [ACD/IUPAC Name]
Ethyl-[(2S,3S,4R,6S)-3-methoxy-2-methyl-16,18-dioxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]methylcarbamat [German] [ACD/IUPAC Name]
143086-33-3 [RN]
Carbamic acid, (2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-1,3-dioxo-9,13-epoxy-1H,9H-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazonin-11-yl)methyl-, ethyl ester, (9α,10β,11β,13α)-
Carbamic acid,(2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-1,3-dioxo-9,13-epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-11-yl)methyl-,ethyl ester, (9S,10S,11S,12R)- (9CI)
N-Ethoxycarbonyl-7-oxostaurosporine

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

NA 382 [DBID]
NA-382 [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: 1.769
Molar Refractivity: 146.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7167.51
ACD/KOC (pH 5.5): 20010.27
ACD/LogD (pH 7.4): 5.37
ACD/BCF (pH 7.4): 7117.11
ACD/KOC (pH 7.4): 19869.54
Polar Surface Area: 104 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 352.9±7.0 cm3

Click to predict properties on the Chemicalize site


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