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

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

  • Molecular FormulaC62H64N2O20
  • Average mass1157.173 Da
  • Monoisotopic mass1156.405273 Da
  • ChemSpider ID25028219

  • defined stereocentres - 4 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(5-hydroxy-6-methyltetrahydro-2H-pyran-4,2-diyl)oxy]}bis(9-acetyl-6,9,11-trihydroxy-4-methoxy-7,8,9,10-tetrahydro-5,12-tetracendion) (non-preferred n ame) [German] [ACD/IUPAC Name]
(7S,9S,7'S,9'S)-7,7'-{1,4-Phenylenebis[methyleneimino(5-hydroxy-6-methyltetrahydro-2H-pyran-4,2-diyl)oxy]}bis(9-acetyl-6,9,11-trihydroxy-4-methoxy-7,8,9,10-tetrahydro-5,12-tetracenedione) (non-preferr ed name) [ACD/IUPAC Name]
(7S,9S,7'S,9'S)-7,7'-{1,4-Phénylènebis[méthylèneimino(5-hydroxy-6-méthyltétrahydro-2H-pyrane-4,2-diyl)oxy]}bis(9-acétyl-6,9,11-trihydroxy-4-méthoxy-7,8,9,10-tétrahydro-5,12-tétracènedione) (non-prefer red name) [French] [ACD/IUPAC Name]

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: 22
#Rule of 5 Violations: 4
ACD/LogP: 8.07
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 101.41
ACD/KOC (pH 5.5): 74.27
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 7445.66
ACD/KOC (pH 7.4): 5452.77
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

Click to predict properties on the Chemicalize site


Advertisement