ChemSpider 2D Image | (1R,2R)-2-Ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside | C28H33NO9

(1R,2R)-2-Ethyl-2,5,7,12-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 ID112431

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2R)-2-Ethyl-2,5,7,12-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]
(1R,2R)-2-Ethyl-2,5,7,12-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 (1R,2R)-2-éthyl-2,5,7,12-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-1,6,8,11-tetrahydroxy-7-((2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl)oxy)-, (7R-trans)-
5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-7-[[2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, (7R,8R)- [ACD/Index Name]
(1R,2R)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranoside
(7R,8R)-7-{[(2S,4S,5S,6S)-4-(DIMETHYLAMINO)-5-HYDROXY-6-METHYLOXAN-2-YL]OXY}-8-ETHYL-1,6,8,11-TETRAHYDROXY-5,7,8,9,10,12-HEXAHYDROTETRACENE-5,12-DIONE
(7R,8R)-7-{[(2S,4S,5S,6S)-4-(DIMETHYLAMINO)-5-HYDROXY-6-METHYLOXAN-2-YL]OXY}-8-ETHYL-1,6,8,11-TETRAHYDROXY-9,10-DIHYDRO-7H-TETRACENE-5,12-DIONE
75634-51-4 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL458335/
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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: 709.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 383.0±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 4
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 6.96
ACD/KOC (pH 5.5): 28.31
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 22.17
ACD/KOC (pH 7.4): 90.18
Polar Surface Area: 157 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 83.4±5.0 dyne/cm
Molar Volume: 352.8±5.0 cm3

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