2-[1-[6-[(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-[6-[(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/d971d0b6be074aa6be2b20deec0c82d9.png "2-[1-[6-[(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-[6-[(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 -
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CAS No:
64253-72-1
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Formula:
C34H41NO14
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Chemical Name:
2-[1-[6-[(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;64253-72-1;5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-amino-4-O-(1-(1-carboxyethoxy)-3-hydroxybutyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-;DTXSID60982797;2-[1-[6-[(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;3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-4-o-[1-(1-carboxyethoxy)-3-hydroxybutyl]-2,3,6-trideoxyhexopyranoside
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CAS No:
2-[1-[6-[(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
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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