ChemSpider 2D Image | aclacinomycin T | C30H35NO10

aclacinomycin T

  • Molecular FormulaC30H35NO10
  • Average mass569.600 Da
  • Monoisotopic mass569.226074 Da
  • ChemSpider ID131997

  • defined stereocentres - 7 of 7 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-3-(diméthylamino)-α-L-lyxo-hexopyranosyl]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-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, methyl ester, (1R,2R,4S)- [ACD/Index Name]
60504-57-6 [RN]
aclacinomycin T
Methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-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-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-3-(dimethylazaniumyl)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracen-5-olate
11002-83-8 [RN]
1-Deoxypyrromycin
1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-((2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexapyranosyl)oxy)-, methyl ester, (1R-(1-α,2-β,4-β))-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 2266 [DBID]
DivK1c_000681 [DBID]
KBio1_000681 [DBID]
KBio2_001294 [DBID]
KBio2_003862 [DBID]
KBio2_006430 [DBID]
KBio3_001112 [DBID]
KBioGR_002540 [DBID]
KBioSS_001294 [DBID]
NINDS_000681 [DBID]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 716.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 387.3±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 144.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 3.02
ACD/KOC (pH 5.5): 15.50
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 4.06
ACD/KOC (pH 7.4): 20.85
Polar Surface Area: 163 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 75.6±5.0 dyne/cm
Molar Volume: 391.5±5.0 cm3

Click to predict properties on the Chemicalize site


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