ChemSpider 2D Image | (7S,9S,7'S,9'S)-7,7'-(1,4-Phenylenebis{methyleneimino[(2R,4S,5S,6S)-4-hydroxy-6-methyltetrahydro-2H-pyran-5,2-diyl]oxy})bis(9-acetyl-6,9,11-trihydroxy-4-methoxy-7,8,9,10-tetrahydro-5,12-tetracenedione ) | C62H64N2O20

(7S,9S,7'S,9'S)-7,7'-(1,4-Phenylenebis{methyleneimino[(2R,4S,5S,6S)-4-hydroxy-6-methyltetrahydro-2H-pyran-5,2-diyl]oxy})bis(9-acetyl-6,9,11-trihydroxy-4-methoxy-7,8,9,10-tetrahydro-5,12-tetracenedione )

  • Molecular FormulaC62H64N2O20
  • Average mass1157.173 Da
  • Monoisotopic mass1156.405273 Da
  • ChemSpider ID4450314

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(7S,9S,7'S,9'S)-7,7'-(1,4-Phenylenbis{methylenimino[(2R,4S,5S,6S)-4-hydroxy-6-methyltetrahydro-2H-pyran-5,2-diyl]oxy})bis(9-acetyl-6,9,11-trihydroxy-4-methoxy-7,8,9,10-tetrahydro-5,12-tetracendion) (n on-preferred name) [German] [ACD/IUPAC Name]
(7S,9S,7'S,9'S)-7,7'-(1,4-Phenylenebis{methyleneimino[(2R,4S,5S,6S)-4-hydroxy-6-methyltetrahydro-2H-pyran-5,2-diyl]oxy})bis(9-acetyl-6,9,11-trihydroxy-4-methoxy-7,8,9,10-tetrahydro-5,12-tetracenedione ) [ACD/IUPAC Name]
(7S,9S,7'S,9'S)-7,7'-(1,4-Phénylènebis{méthylèneimino[(2R,4S,5S,6S)-4-hydroxy-6-méthyltétrahydro-2H-pyrane-5,2-diyl]oxy})bis(9-acétyl-6,9,11-trihydroxy-4-méthoxy-7,8,9,10-tétrahydro-5,12-tétracènedion e) [French] [ACD/IUPAC Name]
DM6-MEB-MEB-DM6

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.726
Molar Refractivity: 292.0±0.4 cm3
#H bond acceptors: 22
#H bond donors: 10
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 7.83
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 2.18
ACD/KOC (pH 5.5): 4.70
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 147.30
ACD/KOC (pH 7.4): 317.30
Polar Surface Area: 344 Å2
Polarizability: 115.7±0.5 10-24cm3
Surface Tension: 95.4±5.0 dyne/cm
Molar Volume: 734.5±5.0 cm3

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