[[(2R,3S,5R)-5-[4-(6-aminohexylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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![[[(2R,3S,5R)-5-[4-(6-aminohexylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b5ceb07ea72046809e49053ad8cbc1cc.png "[[(2R,3S,5R)-5-[4-(6-aminohexylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate")
[[(2R,3S,5R)-5-[4-(6-aminohexylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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CAS No:
110537-14-9
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Formula:
C15H29N4O13P3
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Chemical Name:
[[(2R,3S,5R)-5-[4-(6-aminohexylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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Synonyms:
DAHCTP;N(4)-(6-aminohexyl)deoxycytidine 5'-triphosphate;110537-14-9;Dahctp;DTXSID80911726;N(4)-(6-Aminohexyl)deoxycytidine 5'-triphosphate;cytidine 5'-(tetrahydrogen triphosphate), N-(6-aminohexyl)-2'-deoxy-;4-[(6-Aminohexyl)imino]-1-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-1,4-dihydropyrimidin-2-ol
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CAS No:
[[(2R,3S,5R)-5-[4-(6-aminohexylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Basic Attributes
566.33 g/mol
566.09439799 g/mol
Computed Properties
Molecular Weight:566.33
XLogP3:-7
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:15
Exact Mass:566.09439799
Monoisotopic Mass:566.09439799
Topological Polar Surface Area:260
Heavy Atom Count:35
Complexity:941
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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