ChemSpider 2D Image | (1S,3R,4R)-3-Ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,6-dideoxy-4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-alpha-L-lyxo-hexopyranoside | C32H38O14

(1S,3R,4R)-3-Ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,6-dideoxy-4-O-(2,6-dideoxy-α-L-lyxo-hexopyranosyl)-α-L-lyxo-hexopyranoside

  • Molecular FormulaC32H38O14
  • Average mass646.636 Da
  • Monoisotopic mass646.226135 Da
  • ChemSpider ID78439068

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,3R,4R)-3-Ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,6-dideoxy-4-O-(2,6-dideoxy-α-L-lyxo-hexopyranosyl)-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3R,4R)-3-Ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,6-didesoxy-4-O-(2,6-didesoxy-α-L-lyxo-hexopyranosyl)-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
2,6-Didésoxy-4-O-(2,6-didésoxy-α-L-lyxo-hexopyranosyl)-α-L-lyxo-hexopyranoside de (1S,3R,4R)-3-éthyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 10-[[2,6-dideoxy-4-O-(2,6-dideoxy-α-L-lyxo-hexopyranosyl)-α-L-lyxo-hexopyranosyl]oxy]-8-ethyl-7,8,9,10-tetrahydro-1,6,7,8,11-pentahydroxy-, (7R,8R,10S)- [ACD/Index Name]
2-deoxy-L-fucose-2-deoxy-L-fucose-β-rhodomycinone

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

Density: 1.6±0.1 g/cm3
Boiling Point: 845.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.8±3.0 kJ/mol
Flash Point: 270.5±27.8 °C
Index of Refraction: 1.707
Molar Refractivity: 155.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 68.54
ACD/KOC (pH 5.5): 689.91
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 3.09
ACD/KOC (pH 7.4): 31.11
Polar Surface Area: 233 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 97.5±5.0 dyne/cm
Molar Volume: 398.4±5.0 cm3

Click to predict properties on the Chemicalize site


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