ChemSpider 2D Image | Xenocoumacin 1 | C22H35N5O6

Xenocoumacin 1

  • Molecular FormulaC22H35N5O6
  • Average mass465.543 Da
  • Monoisotopic mass465.258728 Da
  • ChemSpider ID26285825

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3S,4S)-4-Amino-7-carbamimidamido-2,3-dihydroxy-N-{(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl]-3-methylbutyl}heptanamid [German] [ACD/IUPAC Name]
(2S,3S,4S)-4-Amino-7-carbamimidamido-2,3-dihydroxy-N-{(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl]-3-methylbutyl}heptanamide [ACD/IUPAC Name]
(2S,3S,4S)-4-Amino-7-carbamimidamido-2,3-dihydroxy-N-{(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromén-3-yl]-3-méthylbutyl}heptanamide [French] [ACD/IUPAC Name]
Xenocoumacin 1

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 116.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -3.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 204 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 320.3±7.0 cm3

Click to predict properties on the Chemicalize site


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