ChemSpider 2D Image | Kedarcidin chromophore (revised structure) | C53H60ClN3O16

Kedarcidin chromophore (revised structure)

  • Molecular FormulaC53H60ClN3O16
  • Average mass1030.507 Da
  • Monoisotopic mass1029.366211 Da
  • ChemSpider ID26286043
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres


More details:






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

Kedarcidin chromophore (revised structure)
N-[(3S,9R,14S,15E,19S,21R,24S)-6-Chlor-24-[(2,6-didesoxy-3-C-methyl-α-L-ribo-hexopyranosyl)oxy]-11-oxo-14-{[2,4,6-tridesoxy-4-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy}-4,12,20-trioxa-7-azape ntacyclo[13.6.2.25,8.13,21.019,21]hexacosa-1,5,7,15,25-pentaen-17,22-diin-9-yl]-3-hydroxy-6-isopropoxy-7,8-dimethoxy-2-naphthamid [German] [ACD/IUPAC Name]
N-[(3S,9R,14S,15E,19S,21R,24S)-6-Chloro-24-[(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyl)oxy]-11-oxo-14-{[2,4,6-trideoxy-4-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy}-4,12,20-trioxa-7-azapen tacyclo[13.6.2.25,8.13,21.019,21]hexacosa-1,5,7,15,25-pentaene-17,22-diyn-9-yl]-3-hydroxy-6-isopropoxy-7,8-dimethoxy-2-naphthamide [ACD/IUPAC Name]
N-[(3S,9R,14S,15E,19S,21R,24S)-6-Chloro-24-[(2,6-didésoxy-3-C-méthyl-α-L-ribo-hexopyranosyl)oxy]-11-oxo-14-{[2,4,6-tridésoxy-4-(diméthylamino)-α-L-lyxo-hexopyranosyl]oxy}-4,12,20-trioxa-7-azap entacyclo[13.6.2.25,8.13,21.019,21]hexacosa-1,5,7,15,25-pentaène-17,22-diyn-9-yl]-3-hydroxy-6-isopropoxy-7,8-diméthoxy-2-naphtamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 261.8±0.4 cm3
#H bond acceptors: 19
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 8.22
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 36.00
ACD/KOC (pH 5.5): 94.88
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 1648.18
ACD/KOC (pH 7.4): 4344.10
Polar Surface Area: 239 Å2
Polarizability: 103.8±0.5 10-24cm3
Surface Tension: 77.4±5.0 dyne/cm
Molar Volume: 700.1±5.0 cm3

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