ChemSpider 2D Image | (1S,3R,4R)-3-Ethyl-3,4,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6R)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-alpha-L-arabino-hexopyrano syl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside | C40H51NO14

(1S,3R,4R)-3-Ethyl-3,4,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6R)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-α-L-arabino-hexopyrano syl}-3-(dimethylamino)-α-L-lyxo-hexopyranoside

  • Molecular FormulaC40H51NO14
  • Average mass769.831 Da
  • Monoisotopic mass769.330933 Da
  • ChemSpider ID4450345

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1S,3R,4R)-3-Ethyl-3,4,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6R)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-α-L-arabino-hexopyrano syl}-3-(dimethylamino)-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3R,4R)-3-Ethyl-3,4,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,3,6-tridesoxy-4-O-{2,6-didesoxy-4-O-[(2R,6R)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-α-L-arabino-hexopyra nosyl}-3-(dimethylamino)-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tridésoxy-4-O-{2,6-didésoxy-4-O-[(2R,6R)-6-méthyl-5-oxotétrahydro-2H-pyran-2-yl]-α-L-arabino-hexopyranosyl}-3-(diméthylamino)-α-L-lyxo-hexopyranoside de (1S,3R,4R)-3-éthyl-3,4,10,12-tétr ahydroxy-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-1,7,8,11-tetrahydroxy-10-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R,6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-α-L-arabino-hexopyranosyl]-3-(di methylamino)-α-L-lyxo-hexopyranosyl]oxy]-, (7R,8R,10S)- [ACD/Index Name]
11-DEOXY-β-RHODOMYCIN
DRA

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

Density: 1.4±0.1 g/cm3
Boiling Point: 886.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.0±3.0 kJ/mol
Flash Point: 490.0±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 193.0±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 1.66
ACD/KOC (pH 5.5): 10.72
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 2.49
ACD/KOC (pH 7.4): 16.07
Polar Surface Area: 211 Å2
Polarizability: 76.5±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 532.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement