ChemSpider 2D Image | 10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT) | C28H33NO8

10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)

  • Molecular FormulaC28H33NO8
  • Average mass511.564 Da
  • Monoisotopic mass511.220612 Da
  • ChemSpider ID4449984

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,3S)-3-Ethyl-3,10,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3S)-3-Ethyl-3,10,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,3,6-tridesoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)
2,3,6-Tridésoxy-3-(diméthylamino)-α-L-lyxo-hexopyranoside de (1S,3S)-3-éthyl-3,10,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,8,11-trihydroxy-10-[[2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, (8S,10S)- [ACD/Index Name]
10-(4-DIMETHYLAMINO-5-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY)-8-ETHYL-1,8,11-TRIHYDROXY-7,8,9,10-TETRAHYDRO-NAPHTHACENE-5,12-DIONE
AKT

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

Density: 1.4±0.1 g/cm3
Boiling Point: 691.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 372.2±31.5 °C
Index of Refraction: 1.670
Molar Refractivity: 133.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 3.33
ACD/KOC (pH 5.5): 16.65
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 6.93
ACD/KOC (pH 7.4): 34.69
Polar Surface Area: 137 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 75.9±5.0 dyne/cm
Molar Volume: 356.0±5.0 cm3

Click to predict properties on the Chemicalize site


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