(2S,3S)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid
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![(2S,3S)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/86b57cda54b0445d9e747e66168e461c.png "(2S,3S)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid")
(2S,3S)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid
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CAS No:
123067-52-7
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Formula:
C18H28N8O6
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Chemical Name:
(2S,3S)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid
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Synonyms:
5-hydroxymethyl(blasticidin S);5-hydroxymethylblasticidin S;123067-52-7;5-Hydroxymethylblasticidin S;5-Hydroxymethyl(blasticidin S);DTXSID10924364;1-(4-{[3-Amino-1-hydroxy-5-(N-methylcarbamimidamido)pentylidene]amino}-2,3,4-trideoxyhex-2-enopyranuronosyl)-5-(hydroxymethyl)-4-imino-1,4-dihydropyrimidin-2-ol
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CAS No:
(2S,3S)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid Basic Attributes
452.5 g/mol
452.21318064 g/mol
Computed Properties
Molecular Weight:452.5
XLogP3:-5.5
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:452.21318064
Monoisotopic Mass:452.21318064
Topological Polar Surface Area:234
Heavy Atom Count:32
Complexity:856
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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