ChemSpider 2D Image | (3S,6S,9S,12R)-3-butan-2-yl-6-[(1-methoxy-3-indolyl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone | C34H49N5O6

(3S,6S,9S,12R)-3-butan-2-yl-6-[(1-methoxy-3-indolyl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone

  • Molecular FormulaC34H49N5O6
  • Average mass623.783 Da
  • Monoisotopic mass623.368286 Da
  • ChemSpider ID411035

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3S,6S,9S,12R)-3-butan-2-yl-6-[(1-methoxy-3-indolyl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
(3S,6S,9S,15aR)-9-[(2R)-2-Butanyl]-6-[(1-methoxy-1H-indol-3-yl)methyl]-3-(6-oxooctyl)octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecin-1,4,7,10(3H,12H)-tetron [German] [ACD/IUPAC Name]
(3S,6S,9S,15aR)-9-[(2R)-2-Butanyl]-6-[(1-methoxy-1H-indol-3-yl)methyl]-3-(6-oxooctyl)octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone [ACD/IUPAC Name]
(3S,6S,9S,15aR)-9-[(2R)-2-Butanyl]-6-[(1-méthoxy-1H-indol-3-yl)méthyl]-3-(6-oxooctyl)octahydro-2H-pyrido[1,2-a][1,4,7,10]tétraazacyclododécine-1,4,7,10(3H,12H)-tétrone [French] [ACD/IUPAC Name]
2H-Pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone, octahydro-6-[(1-methoxy-1H-indol-3-yl)methyl]-9-[(1R)-1-methylpropyl]-3-(6-oxooctyl)-, (3S,6S,9S,15aR)- [ACD/Index Name]
(3S,6S,9S,15aR)-9-sec-butyl-6-((1-methoxy-1H-indol-3-yl)methyl)-3-(6-oxooctyl)octahydro-1H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(12H,13H,14H)-tetraone
(6S,9S,12S,14aR)-6-sec-butyl-9-(1-methoxy-1H-indol-3-ylmethyl)-12-(6-oxo-octyl)-decahydro-4a,7,10,13-tetraaza-benzocyclododecene-5,8,11,14-tetraone
183506-66-3 [RN]
6-Sec-Butyl-9-(1-methoxy-1H-indol-3-ylmethyl)-12-(6-oxo-octyl)-decahydro-4a,7,10,13-tetraaza-benzocyclododecene-5,8,11,14-tetraone
6-sec-Butyl-9-(1-methoxy-1H-indol-3-ylmethyl)-12-(6-oxo-octyl)-decahydro-4a,7,10,13-tetraaza-benzocyclododecene-5,8,11,14-tetraone (Apicidin)

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

AIDS057120 [DBID]
AIDS-057120 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 171.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 60.28
ACD/KOC (pH 5.5): 654.41
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 60.28
ACD/KOC (pH 7.4): 654.41
Polar Surface Area: 139 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 489.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement