Chem
J-GLOBAL ID:200907096899646808
Nikkaji number:J967.863H
2′-O-(2-Aminobenzoyl)cytidine 3′,5′-bisphosphoric acid
2′-O-(2-アミノベンゾイル)シチジン3′,5′-ビスりん酸
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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:
C16 H20 N4 O12 P2
Molecular formula furigana:
C16-H20-N4-O12-P2
Molecular weight:
522.299
InChI:
InChI=1S/C16H20N4O12P2/c17-9-4-2-1-3-8(9)15(21)31-13-12(32-34(26,27)28)10(7-29-33(23,24)25)30-14(13)20-6-5-11(18)19-16(20)22/h1-6,10,12-14H,7,17H2,(H2,18,19,22)(H2,23,24,25)(H2,26,27,28)/t10-,12-,13-,14-/m1/s1
InChI key:
NIICZIHSAIFQID-FMKGYKFTSA-N
SMILES:
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]2OC(=O)c2ccccc2N)c(=O)n1
Systematic name (3):
2′-O-(2-アミノベンゾイル)シチジン3′,5′-ビスりん酸
{[(2R,3R,4R,5R)-5-(4-アミノ-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-4-(2-アミノベンゾイルオキシ)-3-(ホスホノオキシ)オキソラン-2-イル]メトキシ}ホスホン酸
{[(2R,3R,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4-(2-aminobenzoyloxy)-3-(phosphonooxy)oxolan-2-yl]methoxy}phosphonic acid
Other name (1):
2′-O-(2-Aminobenzoyl)cytidine 3′,5′-bisphosphoric acid
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