[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
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![[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2d5a72030a654c60b41d91a1ef0e122b.png "[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate")
[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
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CAS No:
64145-29-5
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Formula:
C9H16N3O12P3S
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Chemical Name:
[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
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Synonyms:
alpha-phosphorothioate-modified dCTP;dCTPalphaS;DCTTP;deoxycytidine thiotriphosphate;deoxycytidine thiotriphosphate, (R)-isomer;deoxycytidine thiotriphosphate, (S)-isomer;Dctpalphas;64145-29-5;DCTTP;Deoxycytidine thiotriphosphate;alpha-Phosphorothioate-modified dctp;Sp-dCTP.alpha.S;SCHEMBL1657895;[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate;80951-75-3;2'-Deoxycytidine-5'-O-(1-thiotriphosphate);(S)-2'-Deoxycytidine-5'-O-(1-thiotriphosphate);A835361;(Sp-)Cytidine- 5'- O- (.alpha.-thiotriphosphate), 2'-deoxy-;[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate;[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinothioyl] phosphono hydrogen phosphate;[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphinothioyl] phosphono hydrogen phosphate;Cytidine, 2'-deoxy-, 5'-P''-ester with thiotriphosphoric acid ((HO)2P(O)OP(O)(OH)OP(S)(OH)2)
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CAS No:
[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate Basic Attributes
483.23 g/mol
482.96675512 g/mol
Computed Properties
Molecular Weight:483.23
XLogP3:-3.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:8
Exact Mass:482.96675512
Monoisotopic Mass:482.96675512
Topological Polar Surface Area:263
Heavy Atom Count:28
Complexity:828
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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