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Search term: DATA_SOURCE in ('Taylor Group, York')
ChemSpider 2D Image | 6'E-Colabomycin A | C30H30N2O7

6'E-Colabomycin A

  • Molecular FormulaC30H30N2O7
  • Average mass530.568 Da
  • Monoisotopic mass530.205322 Da
  • ChemSpider ID4948091

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2E,4E,6E,8E)-N-[(1S,5S,6R)-5-Hydroxy-5-{(1E,3E,5E,7E)-9-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-9-oxo-1,3,5,7-nonatetraen-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6,8-decatetraenamid [German] [ACD/IUPAC Name]
(2E,4E,6E,8E)-N-[(1S,5S,6R)-5-Hydroxy-5-{(1E,3E,5E,7E)-9-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-9-oxo-1,3,5,7-nonatetraen-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6,8-decatetraenamide [ACD/IUPAC Name]
(2E,4E,6E,8E)-N-[(1S,5S,6R)-5-Hydroxy-5-{(1E,3E,5E,7E)-9-[(2-hydroxy-5-oxo-1-cyclopentén-1-yl)amino]-9-oxo-1,3,5,7-nonatétraén-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-én-3-yl]-2,4,6,8-décatétraénamide [French] [ACD/IUPAC Name]
2,4,6,8-Decatetraenamide, N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E,7E)-9-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-9-oxo-1,3,5,7-nonatetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-, (2E,4E,6E,8E )- [ACD/Index Name]
6'E-Colabomycin A
(2E,4E,6E,8E)-N-[(1S,5S,6R)-5-HYDROXY-5-[(1E,3E,5E,7E)-8-[(2-HYDROXY-5-OXOCYCLOPENT-1-EN-1-YL)CARBAMOYL]OCTA-1,3,5,7-TETRAEN-1-YL]-2-OXO-7-OXABICYCLO[4.1.0]HEPT-3-EN-3-YL]DECA-2,4,6,8-TETRAENAMIDE
117778-57-1 [RN]
2,4,6,8-Decatetraenamide, N-(5-hydroxy-5-(9-((2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino)-9-oxo-1,3,5,7-nonatetraenyl)-2-oxo-7-oxabicyclo(4.1.0)hept-3-en-3-yl)-, (1S-(1α,3(2E,4E,6Z,8E),5β,5(1E,3E,5E,7E),6α))-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 917.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.4±6.0 kJ/mol
Flash Point: 508.6±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 145.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.97
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.01
ACD/LogD (pH 7.4): -2.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 400.0±5.0 cm3

Click to predict properties on the Chemicalize site


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