ChemSpider 2D Image | (2E,4E,6Z,8E)-N-[(1S,5S,6R)-5-Hydroxy-5-{(1E,3E,5E,7E)-9-hydroxy-9-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)imino]-1,3,5,7-nonatetraen-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6,8-decatetraenimi dic acid | C30H30N2O7

(2E,4E,6Z,8E)-N-[(1S,5S,6R)-5-Hydroxy-5-{(1E,3E,5E,7E)-9-hydroxy-9-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)imino]-1,3,5,7-nonatetraen-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6,8-decatetraenimi dic acid

  • Molecular FormulaC30H30N2O7
  • Average mass530.568 Da
  • Monoisotopic mass530.205322 Da
  • ChemSpider ID57260721

  • 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,6Z,8E)-N-[(1S,5S,6R)-5-Hydroxy-5-{(1E,3E,5E,7E)-9-hydroxy-9-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)imino]-1,3,5,7-nonatetraen-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6,8-decatetraenimi dic acid [ACD/IUPAC Name]
(2E,4E,6Z,8E)-N-[(1S,5S,6R)-5-Hydroxy-5-{(1E,3E,5E,7E)-9-hydroxy-9-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)imino]-1,3,5,7-nonatetraen-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6,8-decatetraenimi dsäure [German] [ACD/IUPAC Name]
2,4,6,8-Decatetraenimidic acid, N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E,7E)-9-hydroxy-9-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)imino]-1,3,5,7-nonatetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-, (2 E,4E,6Z,8E)- [ACD/Index Name]
Acide (2E,4E,6Z,8E)-N-[(1S,5S,6R)-5-hydroxy-5-{(1E,3E,5E,7E)-9-hydroxy-9-[(2-hydroxy-5-oxo-1-cyclopentén-1-yl)imino]-1,3,5,7-nonatétraén-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-én-3-yl]-2,4,6,8-décatétr aénimidique [French] [ACD/IUPAC Name]
117778-57-1 [RN]
Colabomycin A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 852.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.9±6.0 kJ/mol
Flash Point: 469.4±37.1 °C
Index of Refraction: 1.589
Molar Refractivity: 146.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.30
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 433.3±7.0 cm3

Click to predict properties on the Chemicalize site


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