ChemSpider 2D Image | (1R,2R,4S)-2-Ethyl-2,4,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(dimethylamino)-alpha-D-lyxo-hexopyranoside | C28H33NO9

(1R,2R,4S)-2-Ethyl-2,4,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(dimethylamino)-α-D-lyxo-hexopyranoside

  • Molecular FormulaC28H33NO9
  • Average mass527.563 Da
  • Monoisotopic mass527.215515 Da
  • ChemSpider ID8657427

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2R,4S)-2-Ethyl-2,4,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(dimethylamino)-α-D-lyxo-hexopyranoside [ACD/IUPAC Name]
(1R,2R,4S)-2-Ethyl-2,4,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,3,6-tridesoxy-3-(dimethylamino)-α-D-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tridésoxy-3-(diméthylamino)-α-D-lyxo-hexopyranoside de (1R,2R,4S)-2-éthyl-2,4,7,12-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-1,6,8,10-tetrahydroxy-7-[[2,3,6-trideoxy-3-(dimethylamino)-α-D-lyxo-hexopyranosyl]oxy]-, (7R,8R,10S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 722.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 390.8±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: 4.45
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.21
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 9.64
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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