Chem
J-GLOBAL ID:200907023699210862
Nikkaji number:J1.241.494C
4-Amino-5-fluoro-1-[(2R)-2β-[(phosphonooxy)methyl]-1,3-oxathiolane-5β-yl]pyrimidine-2(1H)-one
4-アミノ-5-フルオロ-1-[(2R)-2β-[(ホスホノオキシ)メチル]-1,3-オキサチオラン-5β-イル]ピリミジン-2(1H)-オン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C8 H11 FN3 O6 PS
Molecular formula furigana:
C8-H11-F-N3-O6-P-S
Molecular weight:
327.220
InChI:
InChI=1S/C8H11FN3O6PS/c9-4-1-12(8(13)11-7(4)10)5-3-20-6(18-5)2-17-19(14,15)16/h1,5-6H,2-3H2,(H2,10,11,13)(H2,14,15,16)/t5-,6+/m0/s1
InChI key:
WQOMZMVXTRGMHZ-NTSWFWBYSA-N
SMILES:
Nc1nc(=O)n(cc1F)[C@@H]1CS[C@H](COP(=O)(O)O)O1
Systematic name (3):
4-アミノ-5-フルオロ-1-[(2R)-2β-[(ホスホノオキシ)メチル]-1,3-オキサチオラン-5β-イル]ピリミジン-2(1H)-オン
{[(2R,5S)-5-(4-アミノ-5-フルオロ-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-1,3-オキサチオラン-2-イル]メトキシ}ホスホン酸
{[(2R,5S)-5-(4-amino-5-fluoro-2-oxo-1,2-dihydropyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy}phosphonic acid
Other name (1):
4-Amino-5-fluoro-1-[(2R)-2β-[(phosphonooxy)methyl]-1,3-oxathiolane-5β-yl]pyrimidine-2(1H)-one
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