ChemSpider 2D Image | (7R,9R)-9-acetyl-7-[(2R,5S,6S)-4-[[4-[[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]amino]methyl]phenyl]methylamino]-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | C62H64N2O20

(7R,9R)-9-acetyl-7-[(2R,5S,6S)-4-[[4-[[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]amino]methyl]phenyl]methylamino]-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

  • Molecular FormulaC62H64N2O20
  • Average mass1157.173 Da
  • Monoisotopic mass1156.405273 Da
  • ChemSpider ID8164458

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(8S,10S)-8-Acetyl-10-{[(2R,4S,5S,6S)-4-{[4-({[(2S,3S,6R)-6-{[(1R,3R)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl]oxy}-3-hydroxy-2-methyltetrahydro-2H-pyran-4-y l]amino}methyl)benzyl]amino}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracendion [German] [ACD/IUPAC Name]
(8S,10S)-8-Acétyl-10-{[(2R,4S,5S,6S)-4-{[4-({[(2S,3S,6R)-6-{[(1R,3R)-3-acétyl-3,5,12-trihydroxy-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényl]oxy}-3-hydroxy-2-méthyltétrahydro-2H-pyran-4-y l]amino}méthyl)benzyl]amino}-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-6,8,11-trihydroxy-1-méthoxy-7,8,9,10-tétrahydro-5,12-tétracènedione [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: 14
#Rule of 5 Violations: 4
ACD/LogP: 8.07
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 2.50
ACD/KOC (pH 5.5): 5.24
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 183.34
ACD/KOC (pH 7.4): 384.60
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


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