2-[3-[(2-amino-3-hydroxypropanoyl)amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-yl]-5-(diaminomethylideneamino)-2,4-dihydroxypentanoic acid
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![2-[3-[(2-amino-3-hydroxypropanoyl)amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-yl]-5-(diaminomethylideneamino)-2,4-dihydroxypentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/28d5c86699a4401c93154fd564f684cb.png "2-[3-[(2-amino-3-hydroxypropanoyl)amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-yl]-5-(diaminomethylideneamino)-2,4-dihydroxypentanoic acid")
2-[3-[(2-amino-3-hydroxypropanoyl)amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-yl]-5-(diaminomethylideneamino)-2,4-dihydroxypentanoic acid
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CAS No:
78162-87-5
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Formula:
C18H28N8O8
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Chemical Name:
2-[3-[(2-amino-3-hydroxypropanoyl)amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-yl]-5-(diaminomethylideneamino)-2,4-dihydroxypentanoic acid
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Synonyms:
Mildiomycin C; 5-Dehydroxymethylmildiomycin;
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CAS No:
2-[3-[(2-amino-3-hydroxypropanoyl)amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-yl]-5-(diaminomethylideneamino)-2,4-dihydroxypentanoic acid Basic Attributes
484.46400
484.20300988
Computed Properties
Molecular Weight:484.5
XLogP3:-7.8
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:484.20300988
Monoisotopic Mass:484.20300988
Topological Polar Surface Area:285
Heavy Atom Count:34
Complexity:918
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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