ChemSpider 2D Image | (2S,3S,4S,6R,2'S,3'S,4'S,6'R)-N,N'-[1,4-Phenylenebis(methylene)]bis(6-{[(1S,3S)-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-2 H-pyran-4-aminium) | C62H66N2O20

(2S,3S,4S,6R,2'S,3'S,4'S,6'R)-N,N'-[1,4-Phenylenebis(methylene)]bis(6-{[(1S,3S)-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-2 H-pyran-4-aminium)

  • Molecular FormulaC62H66N2O20
  • Average mass1159.188 Da
  • Monoisotopic mass1158.419800 Da
  • ChemSpider ID2278328

  • Charge - Charge

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2S,3S,4S,6R,2'S,3'S,4'S,6'R)-N,N'-(1,4-Phenylendimethylen)bis(6-{[(1S,3S)-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-pyr an-4-aminium) [German] [ACD/IUPAC Name]
(2S,3S,4S,6R,2'S,3'S,4'S,6'R)-N,N'-(1,4-Phénylènediméthylène)bis(6-{[(1S,3S)-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-p yran-4-aminium) [French] [ACD/IUPAC Name]
(2S,3S,4S,6R,2'S,3'S,4'S,6'R)-N,N'-[1,4-Phenylenebis(methylene)]bis(6-{[(1S,3S)-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-2 H-pyran-4-aminium) [ACD/IUPAC Name]
(8S,10S)-10-[4-({[4-({[6-((1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo(1,2,3,4-tetrahydronaphthacenyloxy))(2S,3S,4S,6R)-3-hydroxy-2-methyl(2H-3,4,5,6-tetrahydropyran-4-yl)]amino}methyl)phenyl]methyl}amino)(4S,5S,6S,2R)-5-hydroxy-6-methyl(2H-3,4,5,6-tetrahydropyran-2-yl)oxy]-8-acetyl-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydronaphthacene-5,12-dione
4-METHYLBENZYL-N-BIS[DAUNOMYCIN]
BDA
wp631

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

AIDS209892 [DBID]
AIDS-209892 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#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: 353 Å2
Polarizability:
Surface Tension:
Molar Volume:

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