1-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-[[[(4S)-2-amino-1,4,5,6-tetrahydro-1-methyl-4-pyrimidinyl]acetyl]amino]-1,2,3,4-tetradeoxy-β-D-erythro-hex-2-enopyranuronic acid
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![1-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-[[[(4S)-2-amino-1,4,5,6-tetrahydro-1-methyl-4-pyrimidinyl]acetyl]amino]-1,2,3,4-tetradeoxy-β-D-erythro-hex-2-enopyranuronic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a3e46eec2ebe4be980be3efff13485ff.png "1-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-[[[(4S)-2-amino-1,4,5,6-tetrahydro-1-methyl-4-pyrimidinyl]acetyl]amino]-1,2,3,4-tetradeoxy-β-D-erythro-hex-2-enopyranuronic acid")
1-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-[[[(4S)-2-amino-1,4,5,6-tetrahydro-1-methyl-4-pyrimidinyl]acetyl]amino]-1,2,3,4-tetradeoxy-β-D-erythro-hex-2-enopyranuronic acid
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CAS No:
2005-98-3
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Formula:
C17H23N7O5
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Chemical Name:
1-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-[[[(4S)-2-amino-1,4,5,6-tetrahydro-1-methyl-4-pyrimidinyl]acetyl]amino]-1,2,3,4-tetradeoxy-β-D-erythro-hex-2-enopyranuronic acid
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Synonyms:
β-D-erythro-Hex-2-enopyranuronic acid,1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-[[[(4S)-2-amino-1,4,5,6-tetrahydro-1-methyl-4-pyrimidinyl]acetyl]amino]-1,2,3,4-tetradeoxy-;Cytomycin;β-D-erythro-Hex-2-enopyranuronic acid,1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-[[(2-amino-1,4,5,6-tetrahydro-1-methyl-4-pyrimidinyl)acetyl]amino]-1,2,3,4-tetradeoxy-,(S)-;1-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-[[[(4S)-2-amino-1,4,5,6-tetrahydro-1-methyl-4-pyrimidinyl]acetyl]amino]-1,2,3,4-tetradeoxy-β-D-erythro-hex-2-enopyranuronic acid;10088-04-7;11006-26-1
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CAS No:
1-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-[[[(4S)-2-amino-1,4,5,6-tetrahydro-1-methyl-4-pyrimidinyl]acetyl]amino]-1,2,3,4-tetradeoxy-β-D-erythro-hex-2-enopyranuronic acid Basic Attributes
405.40842
405.41
Computed Properties
Molecular Weight:405.4
XLogP3:-2.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:405.17606686
Monoisotopic Mass:405.17606686
Topological Polar Surface Area:176
Heavy Atom Count:29
Complexity:821
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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