10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-8-(1-hydroxyethyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one
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10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-8-(1-hydroxyethyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one
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CAS No:
82267-09-2
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Formula:
C27H32N2O9
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Chemical Name:
10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-8-(1-hydroxyethyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one
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Synonyms:
82267-09-2;13-Dihydro-5-iminodaunorubicin hydrochloride;DTXSID301002583;10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-12-imino-1-methoxy-5(8H)-naphthacenone;5(8H)-Naphthacenone, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-12-imino-1-methoxy-;11-Amino-3,6-dihydroxy-3-(1-hydroxyethyl)-10-methoxy-5,12-dioxo-1,2,3,4,5,12-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside
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CAS No:
10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-8-(1-hydroxyethyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one Basic Attributes
528.5 g/mol
528.21078060 g/mol
Computed Properties
Molecular Weight:528.5
XLogP3:1.3
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:4
Exact Mass:528.21078060
Monoisotopic Mass:528.21078060
Topological Polar Surface Area:196
Heavy Atom Count:38
Complexity:921
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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