ChemSpider 2D Image | (7S,9S,7'S,9'S)-7,7'-(1,4-Phenylenebis{methyleneimino[(2R,4S,5S,6S)-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 ) | C62H64N2O20

(7S,9S,7'S,9'S)-7,7'-(1,4-Phenylenebis{methyleneimino[(2R,4S,5S,6S)-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 )

  • Molecular FormulaC62H64N2O20
  • Average mass1157.173 Da
  • Monoisotopic mass1156.405273 Da
  • ChemSpider ID138460

  • 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)-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) (n on-preferred name) [German] [ACD/IUPAC Name]
(7S,9S,7'S,9'S)-7,7'-(1,4-Phenylenebis{methyleneimino[(2R,4S,5S,6S)-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 ) [ACD/IUPAC Name]
(7S,9S,7'S,9'S)-7,7'-(1,4-Phénylènebis{méthylèneimino[(2R,4S,5S,6S)-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-tétracènedion e) [French] [ACD/IUPAC Name]
186131-38-4 [RN]
(8S,10S)-8-ACETYL-10-{[(2R,4S,5S,6S)-4-({[4-({[(2S,3S,4S,6R)-6-{[(1S,3S)-3-ACETYL-3,5,12-TRIHYDROXY-10-METHOXY-6,11-DIOXO-1,2,3,4,6,11-HEXAHYDROTETRACEN-1-YL]OXY}-3-HYDROXY-2-METHYLOXAN-4-YL]AMINO}METHYL)PHENYL]METHYL}AMINO)-5-HYDROXY-6-METHYLOXAN-2-YL]OXY}-6,8,11-TRIHYDROXY-1-METHOXY-5,7,8,9,10,12-HEXAHYDROTETRACENE-5,12-DIONE
(8S,10S)-8-ACETYL-10-{[(2R,4S,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-METHYLOXAN-4-YL]AMINO}METHYL)PHENYL]METHYL}AMINO)-5-HYDROXY-6-METHYLOXAN-2-YL]OXY}-6,8,11-TRIHYDROXY-1-METHOXY-9,10-DIHYDRO-7H-TETRACENE-5,12-DIONE
DM1-MEB-MEB-DM1
α-L-lyxo-Hexopyranoside, 3,3'-(1,4-phenylenebis(methyleneimino))bis((1S,3S)-3-acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 2,3,6-trideoxy-

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

WP 652 [DBID]
WP-652 [DBID]

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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