2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]acetic acid
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![2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/83cd0aa5c86b4c6c96e6208e661ce722.png "2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]acetic acid")
2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]acetic acid
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CAS No:
103620-81-1
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Formula:
C29H31NO12
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Chemical Name:
2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]acetic acid
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Synonyms:
N-(Carboxymethyl)daunorubicin;BRN 6049734;5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-((carboxymethyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1-methoxy-6,8,11-trihydroxy-, (8S-cis)-;103620-81-1
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CAS No:
2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]acetic acid Basic Attributes
585.6 g/mol
585.18462542 g/mol
Computed Properties
Molecular Weight:585.6
XLogP3:-0.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:7
Exact Mass:585.18462542
Monoisotopic Mass:585.18462542
Topological Polar Surface Area:209
Heavy Atom Count:42
Complexity:1080
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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