2-[1-[(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]-4-amino-2-methyloxan-3-yl]oxy-3-hydroxybutoxy]propanoic acid
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![2-[1-[(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]-4-amino-2-methyloxan-3-yl]oxy-3-hydroxybutoxy]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/20aa3c37c15f4f8289d6ae3381c51444.png "2-[1-[(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]-4-amino-2-methyloxan-3-yl]oxy-3-hydroxybutoxy]propanoic acid")
2-[1-[(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]-4-amino-2-methyloxan-3-yl]oxy-3-hydroxybutoxy]propanoic acid
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CAS No:
64312-53-4
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Formula:
C34H41NO14
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Chemical Name:
2-[1-[(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]-4-amino-2-methyloxan-3-yl]oxy-3-hydroxybutoxy]propanoic acid
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Synonyms:
Baumycin B1;64312-53-4;Baumycin B2;(8S-cis)-8-Acetyl-10-((3-amino-4-O-(1-(1-carboxyethoxy)-3-hydroxybutyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione;5,12-Naphthacenedione, 8-acetyl-10-((3-amino-4-O-(1-(1-carboxyethoxy)-3-hydroxybutyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-
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CAS No:
2-[1-[(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]-4-amino-2-methyloxan-3-yl]oxy-3-hydroxybutoxy]propanoic acid Basic Attributes
687.7 g/mol
687.25270498 g/mol
Computed Properties
Molecular Weight:687.7
XLogP3:0.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:11
Exact Mass:687.25270498
Monoisotopic Mass:687.25270498
Topological Polar Surface Area:242
Heavy Atom Count:49
Complexity:1250
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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