ChemSpider 2D Image | (6R)-2,6-Anhydro-1,5-dideoxy-3-O-[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-6-[(3R,4aR,12bS)-4a,8,12b-trihydroxy-3-methyl-3-{[(2R,5S,6R)-6-methyl-5-{[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2- yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydro-9-tetraphenyl]-L-arabino-hexitol | C43H52O16

(6R)-2,6-Anhydro-1,5-dideoxy-3-O-[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-6-[(3R,4aR,12bS)-4a,8,12b-trihydroxy-3-methyl-3-{[(2R,5S,6R)-6-methyl-5-{[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2- yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydro-9-tetraphenyl]-L-arabino-hexitol

  • Molecular FormulaC43H52O16
  • Average mass824.863 Da
  • Monoisotopic mass824.325562 Da
  • ChemSpider ID59700653

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(6R)-2,6-Anhydro-1,5-dideoxy-3-O-[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-6-[(3R,4aR,12bS)-4a,8,12b-trihydroxy-3-methyl-3-{[(2R,5S,6R)-6-methyl-5-{[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2- yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydro-9-tetraphenyl]-L-arabino-hexitol [ACD/IUPAC Name]
(6R)-2,6-Anhydro-1,5-didesoxy-3-O-[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-6-[(3R,4aR,12bS)-4a,8,12b-trihydroxy-3-methyl-3-{[(2R,5S,6R)-6-methyl-5-{[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2 -yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydro-9-tetraphenyl]-L-arabino-hexitol [German] [ACD/IUPAC Name]
(6R)-2,6-Anhydro-1,5-didésoxy-3-O-[(2R,6S)-6-méthyl-5-oxotétrahydro-2H-pyran-2-yl]-6-[(3R,4aR,12bS)-4a,8,12b-trihydroxy-3-méthyl-3-{[(2R,5S,6R)-6-méthyl-5-{[(2R,6S)-6-méthyl-5-oxotétrahydro-2H-pyran-2 -yl]oxy}tétrahydro-2H-pyran-2-yl]oxy}-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydro-9-tétraphényl]-L-arabino-hexitol [French] [ACD/IUPAC Name]
L-arabino-Hexitol, 2,6-anhydro-1,5-dideoxy-6-C-[(3R,4aR,12bS)-1,2,3,4,4a,7,12,12b-octahydro-4a,8,12b-trihydroxy-3-methyl-1,7,12-trioxo-3-[[(2R,5S,6R)-tetrahydro-6-methyl-5-[[(2R,6S)-tetrahydro-6-methy l-5-oxo-2H-pyran-2-yl]oxy]-2H-pyran-2-yl]oxy]benz[a]anthracen-9-yl]-3-O-[(2R,6S)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-, (6R)- [ACD/Index Name]
Saquayamycin C

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

Density: 1.5±0.1 g/cm3
Boiling Point: 978.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.4±3.0 kJ/mol
Flash Point: 293.3±27.8 °C
Index of Refraction: 1.633
Molar Refractivity: 201.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 20.57
ACD/KOC (pH 5.5): 281.27
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 1.06
ACD/KOC (pH 7.4): 14.53
Polar Surface Area: 231 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 564.9±5.0 cm3

Click to predict properties on the Chemicalize site


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