ChemSpider 2D Image | Coumermycin A1 | C55H59N5O20

Coumermycin A1

  • Molecular FormulaC55H59N5O20
  • Average mass1110.078 Da
  • Monoisotopic mass1109.375366 Da
  • ChemSpider ID16736904

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3-Methyl-1H-pyrrol-2,4-diyl)bis[carbonylimino(4-hydroxy-8-methyl-2-oxo-2H-chromen-3,7-diyl)oxy(2R,3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2,4-diyl]-bis(5-methyl-1H-pyrrol-2-carb oxylat) [German] [ACD/IUPAC Name]
(3-Methyl-1H-pyrrole-2,4-diyl)bis[carbonylimino(4-hydroxy-8-methyl-2-oxo-2H-chromene-3,7-diyl)oxy(2R,3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2,4-diyl] bis(5-methyl-1H-pyrrole-2-c arboxylate) [ACD/IUPAC Name]
1H-Pyrrole-2,4-dicarboxamide, N,N'-bis[7-[[6-deoxy-5-C-methyl-4-O-methyl-3-O-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-α-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-3-methyl-
4434-05-3 [RN]
5-Methylpyrrole-2-carboxylic Acid Diester With 3,3'-((3-Methylpyrrole-2,4-diyl)bis(carbonylimino))bis(4-hydroxy-8-methyl-7-((tetrahydro-3,4-dihydroxy-5-methoxy-6,6-dimethylpyran-2-yl)oxy)coumarin)
5-Methylpyrrole-2-carboxylic Acid Diester with 3,3'-((3-Methylpyrrole-2,4-diyl)bis(carbonylimino))bis(7-((5,5-di-C-methyl-4-O-methyl-a-L-lyxopyranosyl)oxy)-4-hydroxy-8-methylcoumarin)
87901-11-9 [RN]
Bis(5-méthyl-1H-pyrrole-2-carboxylate) de (3-méthyl-1H-pyrrole-2,4-diyl)bis[carbonylimino(4-hydroxy-8-méthyl-2-oxo-2H-chromène-3,7-diyl)oxy(2R,3R,4S,5R)-3-hydroxy-5-méthoxy-6,6-diméthyltétrahydro-2H-p yrane-2,4-diyle] [French] [ACD/IUPAC Name]
coumamycine [French] [INN]
coumamycinum [Latin] [INN]
More...

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

1948 [DBID]
470805 [DBID]
BRN 0470805 [DBID]
NSC 107412 [DBID]

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: 1.685
Molar Refractivity: 273.0±0.4 cm3
#H bond acceptors: 25
#H bond donors: 9
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 25.45
ACD/KOC (pH 5.5): 178.60
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.81
Polar Surface Area: 347 Å2
Polarizability: 108.2±0.5 10-24cm3
Surface Tension: 85.5±5.0 dyne/cm
Molar Volume: 718.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement