ChemSpider 2D Image | mollemycin A | C59H96N8O24

mollemycin A

  • Molecular FormulaC59H96N8O24
  • Average mass1301.433 Da
  • Monoisotopic mass1300.653687 Da
  • ChemSpider ID30974157

  • defined stereocentres - 15 of 21 defined stereocentres

More details:

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

mollemycin A
N-[(9R,9aS,12S,15S,16S,22aR,25S)-3-{[2,6-Dideoxy-4-O-(2,6-dideoxy-3-O-methyl-α-L-lyxo-hexopyranosyl)-3-O-methyl-α-L-lyxo-hexopyranosyl]oxy}-12-ethyl-9,11,24-trihydroxy-15-isopropyl-25-(methoxy methyl)-9-methyl-5,10,13,17,23,26-hexaoxo-1,2,4a,5,7,8,9,9a,10,11,12,13,16,17,20,21,22,22a,23,24,25,26-docosahydro-15H,19H-dipyridazino[6,1-i:6',1'-o]pyrrolo[2,1-f][1,4,7,10,13,16]oxapentaazacyclonona decin-16-yl]-2-[6-ethyl-2-hydroxy-5-(2-hydro [ACD/IUPAC Name]
N-[(9R,9aS,12S,15S,16S,22aR,25S)-3-{[2,6-Didesoxy-4-O-(2,6-didesoxy-3-O-methyl-α-L-lyxo-hexopyranosyl)-3-O-methyl-α-L-lyxo-hexopyranosyl]oxy}-12-ethyl-9,11,24-trihydroxy-15-isopropyl-25-(metho xymethyl)-9-methyl-5,10,13,17,23,26-hexaoxo-1,2,4a,5,7,8,9,9a,10,11,12,13,16,17,20,21,22,22a,23,24,25,26-docosahydro-15H,19H-dipyridazino[6,1-i:6',1'-o]pyrrolo[2,1-f][1,4,7,10,13,16]oxapentaazacyclono nadecin-16-yl]-2-[6-ethyl-2-hydroxy-5-(2-hyd [German] [ACD/IUPAC Name]
N-[(9R,9aS,12S,15S,16S,22aR,25S)-3-{[2,6-Didésoxy-4-O-(2,6-didésoxy-3-O-méthyl-α-L-lyxo-hexopyranosyl)-3-O-méthyl-α-L-lyxo-hexopyranosyl]oxy}-12-éthyl-9,11,24-trihydroxy-15-isopropyl-25-(métho xyméthyl)-9-méthyl-5,10,13,17,23,26-hexaoxo-1,2,4a,5,7,8,9,9a,10,11,12,13,16,17,20,21,22,22a,23,24,25,26-docosahydro-15H,19H-dipyridazino[6,1-i:6',1'-o]pyrrolo[2,1-f][1,4,7,10,13,16]oxapentaazacyclono nadécin-16-yl]-2-[6-éthyl-2-hydroxy-5-(2-hyd [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.611
Molar Refractivity: 318.0±0.4 cm3
#H bond acceptors: 32
#H bond donors: 10
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -3.01
ACD/LogD (pH 5.5): -3.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 414 Å2
Polarizability: 126.1±0.5 10-24cm3
Surface Tension: 73.4±5.0 dyne/cm
Molar Volume: 915.7±5.0 cm3

Click to predict properties on the Chemicalize site


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