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ChemSpider 2D Image | Alisamycin | C29H32N2O7

Alisamycin

  • Molecular FormulaC29H32N2O7
  • Average mass520.574 Da
  • Monoisotopic mass520.220947 Da
  • ChemSpider ID9181026

  • 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)-7-[(1S,2R,6R)-4-{[(2E,4E)-5-Cyclohexyl-2,4-pentadienoyl]amino}-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-2,4,6-heptatrienamid [German] [ACD/IUPAC Name]
(2E,4E,6E)-7-[(1S,2R,6R)-4-{[(2E,4E)-5-Cyclohexyl-2,4-pentadienoyl]amino}-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-2,4,6-heptatrienamide [ACD/IUPAC Name]
(2E,4E,6E)-7-[(1S,2R,6R)-4-{[(2E,4E)-5-Cyclohexyl-2,4-pentadienoyl]amino}-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-én-2-yl]-N-(2-hydroxy-5-oxo-1-cyclopentén-1-yl)-2,4,6-heptatriénamide [French] [ACD/IUPAC Name]
(2E,4E,6E)-7-[(1S,2R,6R)-4-{[(2E,4E)-5-Cyclohexylpenta-2,4-dienoyl]amino}-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-N-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienamide
2,4,6-Heptatrienamide, 7-[(1S,2R,6R)-4-[[(2E,4E)-5-cyclohexyl-1-oxo-2,4-pentadien-1-yl]amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-, (2E,4E,6E)- [ACD/Index Name]
Alisamycin
136398-54-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 891.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.2±6.0 kJ/mol
Flash Point: 493.1±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.52
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.10
ACD/LogD (pH 7.4): -2.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 385.8±5.0 cm3

Click to predict properties on the Chemicalize site


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