ChemSpider 2D Image | Amicoumacin A | C20H29N3O7

Amicoumacin A

  • Molecular FormulaC20H29N3O7
  • Average mass423.460 Da
  • Monoisotopic mass423.200562 Da
  • ChemSpider ID26285818

  • 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-2,3-dihydroxy-N1-{(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl]-3-methylbutyl}hexandiamid [German] [ACD/IUPAC Name]
(2S,3S,4S)-4-Amino-2,3-dihydroxy-N1-{(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl]-3-methylbutyl}hexandiamid (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3S,4S)-4-Amino-2,3-dihydroxy-N1-{(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl]-3-methylbutyl}hexanediamide [ACD/IUPAC Name]
(2S,3S,4S)-4-Amino-2,3-dihydroxy-N1-{(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromén-3-yl]-3-méthylbutyl}hexanediamide [French] [ACD/IUPAC Name]
(2S,3S,4S)-4-Amino-2,3-dihydroxy-N1-{(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl]-3-methylbutyl}hexanediamide (non-preferred name) [ACD/IUPAC Name]
(2S,3S,4S)-4-Amino-2,3-dihydroxy-N1-{(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromén-3-yl]-3-méthylbutyl}hexanediamide (non-preferred name) [French] [ACD/IUPAC Name]
78654-44-1 [RN]
Amicoumacin A

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

5244TX8CTI [DBID]
UNII:5244TX8CTI [DBID]
UNII-5244TX8CTI [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 859.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.9±3.0 kJ/mol
Flash Point: 473.7±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 106.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -2.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.34
Polar Surface Area: 185 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 66.3±3.0 dyne/cm
Molar Volume: 313.3±3.0 cm3

Click to predict properties on the Chemicalize site


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