ChemSpider 2D Image | trapoxin A | C34H42N4O6

trapoxin A

  • Molecular FormulaC34H42N4O6
  • Average mass602.721 Da
  • Monoisotopic mass602.310425 Da
  • ChemSpider ID108725

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S,6S,9S,15aR)-6,9-Dibenzyl-3-{6-[(2S)-2-oxiranyl]-6-oxohexyl}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)-6,9-Dibenzyl-3-{6-[(2S)-2-oxiranyl]-6-oxohexyl}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)-6,9-Dibenzyl-3-{6-[(2S)-2-oxiranyl]-6-oxohexyl}octahydro-2H-pyrido[1,2-a][1,4,7,10]tétraazacyclododécine-1,4,7,10(3H,12H)-tétrone [French] [ACD/IUPAC Name]
133155-89-2 [RN]
2H-Pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone, octahydro-3-[6-[(2S)-oxiranyl]-6-oxohexyl]-6,9-bis(phenylmethyl)-, (3S,6S,9S,15aR)- [ACD/Index Name]
cyclo((S)-phenylalanyl-(S)-phenylalanyl-(R)-pipecolinyl-(2S,9S)-2-amino-8-oxo-9,10-epoxydecanoyl)
trapoxin A
(3S,6S,9S,12R)-3,6-dibenzyl-9-[6-[(2S)-oxiran-2-yl]-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
(3S,6S,9S,15AR)-6,9-DIBENZYL-3-{6-[(2S)-OXIRAN-2-YL]-6-OXOHEXYL}-DECAHYDRO-2H-PYRIDO[1,2-A]1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRONE
(3S,6S,9S,15aR)-6,9-dibenzyl-3-{6-[(2S)-oxiran-2-yl]-6-oxohexyl}octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

GSS8DX555X [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: 928.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.1±3.0 kJ/mol
Flash Point: 515.2±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 164.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.57
ACD/KOC (pH 5.5): 281.75
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.57
ACD/KOC (pH 7.4): 281.75
Polar Surface Area: 137 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 472.4±5.0 cm3

Click to predict properties on the Chemicalize site


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