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Search term: aclacinomycin Y (Found by approved synonym)

ChemSpider 2D Image | aclacinomycin Y | C42H51NO15

aclacinomycin Y

  • Molecular FormulaC42H51NO15
  • Average mass809.852 Da
  • Monoisotopic mass809.325867 Da
  • ChemSpider ID29368490
  • defined stereocentres - 13 of 13 defined stereocentres


More details:






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

(1R,2R,4S)-2-Éthyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-tridésoxy-4-O-{2,6-didésoxy-4-O-[(2R,6S)-6-méthyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl}-3-(diméthylamino)-α-L-lyxo-h exopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tétracènecarboxylate de méthyle [French] [ACD/IUPAC Name]
1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R,6S)-5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl]-α-L-lyxo-hexopyr anosyl]-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, methyl ester, (1R,2R,4S)- [ACD/Index Name]
aclacinomycin Y
Methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl}-3-(dimethylamino)-α-L-l yxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate [ACD/IUPAC Name]
Methyl-(1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-tridesoxy-4-O-{2,6-didesoxy-4-O-[(2R,6S)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl}-3-(dimethylamino)-α-L -lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracencarboxylat [German] [ACD/IUPAC Name]
(1R,2R,4S)-2-ethyl-2,7-dihydroxy-1-(methoxycarbonyl)-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl}-3-(dimethylazaniu
(1R,2R,4S)-2-ethyl-2,7-dihydroxy-1-(methoxycarbonyl)-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl}-3-(dimethylazaniumyl)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracen-5-olate
66789-14-8 [RN]
aclacinomycin Y zwitterion
MA 144 Y
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 908.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.3±3.0 kJ/mol
Flash Point: 502.9±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 202.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 4.59
ACD/KOC (pH 5.5): 22.18
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 6.03
ACD/KOC (pH 7.4): 29.13
Polar Surface Area: 217 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 563.2±5.0 cm3

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