2P-DOX
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2P-DOX
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CAS No:
175795-76-3
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Formula:
C31H33NO11
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Chemical Name:
2P-DOX
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Synonyms:
5,12-Naphthacenedione,7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-(2,3-dihydro-1H-pyrrol-1-yl)-α-L-lyxo-hexopyranosyl]oxy]-,(8S,10S)-;5,12-Naphthacenedione,7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-(2,3-dihydro-1H-pyrrol-1-yl)-α-L-lyxo-hexopyranosyl]oxy]-,(8S-cis)-;5,12-Naphthacenedione,7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-(2,3-dihydro-1H-pyrrol-1-yl)-α-L-lyxo-hexopyranosyl]oxy]-,(8S,10S)-;(8S,10S)-7,8,9,10-Tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-(2,3-dihydro-1H-pyrrol-1-yl)-α-L-lyxo-hexopyranosyl]oxy]-5,12-naphthacenedione;AN 201;AN 201 (pharmaceutical);3′-Deamino-3′-(2′′-pyrrolin-1′′-yl)doxorubicin;2P-DOX;2-Pyrrolinodoxorubicine
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CAS No:
Computed Properties
Molecular Weight:595.6
XLogP3:2.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:6
Exact Mass:595.20536087
Monoisotopic Mass:595.20536087
Topological Polar Surface Area:183
Heavy Atom Count:43
Complexity:1130
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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