Chem
J-GLOBAL ID:200907088986840510
Nikkaji number:J1.108.933J
3′-O-[(3′-O-Phosphono-5′-adenylyl)oxyphosphonyl]-2′-deoxy-5′-uridylic acid
2′-デオキシウリジン3′-[二りん酸P2 -(3′-O-ホスホノ-5′-アデノシル)]5′-りん酸
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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:
C19 H27 N7 O20 P4
Molecular formula furigana:
C19-H27-N7-O20-P4
Molecular weight:
797.349
InChI:
InChI=1S/C19H27N7O20P4/c20-16-13-17(22-6-21-16)26(7-23-13)18-14(28)15(45-48(33,34)35)10(43-18)5-41-49(36,37)46-50(38,39)44-8-3-12(25-2-1-11(27)24-19(25)29)42-9(8)4-40-47(30,31)32/h1-2,6-10,12,14-15,18,28H,3-5H2,(H,36,37)(H,38,39)(H2,20,21,22)(H,24,27,29)(H2,30,31,32)(H2,33,34,35)/t8-,9+,10+,12+,14+,15+,18+/m0/s1
InChI key:
JIAJERGOUFOENU-LNAOLWRRSA-N
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2C[C@@H](O[C@@H]2COP(=O)(O)O)n2ccc(=O)[nH]c2=O)[C@@H](OP(=O)(O)O)[C@H]1O
Systematic name (4):
3′-O-[(3′-O-ホスホノ-5′-アデニリル)オキシホスホニル]-2′-デオキシ-5′-ウリジル酸
2′-デオキシウリジン3′-[二りん酸P2 -(3′-O-ホスホノ-5′-アデノシル)]5′-りん酸
{[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-2-[({[({[(2R,3S,5R)-5-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-2-[(ホスホノオキシ)メチル]オキソラン-3-イル]オキシ}(ヒドロキシ)ホスホリル)オキシ](ヒドロキシ)ホスホリル}オキシ)メチル]-4-ヒドロキシオキソラン-3-イル]オキシ}ホスホン酸
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-[({[({[(2R,3S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
Other name (2):
3′-O-[(3′-O-Phosphono-5′-adenylyl)oxyphosphonyl]-2′-deoxy-5′-uridylic acid
2′-Deoxyuridine 3′-[diphosphoric acid P2 -(3′-O-phosphono-5′-adenosyl)]5′-phosphoric acid
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