ChemSpider 2D Image | (1S,3R,4R)-3-Ethyl-3,4,5,10-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside | C28H33NO9

(1S,3R,4R)-3-Ethyl-3,4,5,10-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranoside

  • Molecular FormulaC28H33NO9
  • Average mass527.563 Da
  • Monoisotopic mass527.215515 Da
  • ChemSpider ID8567592

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3R,4R)-3-Ethyl-3,4,5,10-tetrahydroxy-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,3R,4R)-3-Ethyl-3,4,5,10-tetrahydroxy-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]
2,3,6-Tridésoxy-3-(diméthylamino)-α-L-lyxo-hexopyranoside de (1S,3R,4R)-3-éthyl-3,4,5,10-tétrahydroxy-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-1,6,7,8-tetrahydroxy-10-[[2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, (7R,8R,10S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 766.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 417.3±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.66
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 1.77
ACD/KOC (pH 7.4): 12.75
Polar Surface Area: 157 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 82.3±5.0 dyne/cm
Molar Volume: 353.9±5.0 cm3

Click to predict properties on the Chemicalize site


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