Chem
J-GLOBAL ID:200907084408230380   Nikkaji number:J2.743.499A

(3R)-1,2-Dithiolane-3α-pentanoic acid 5′-adenylyl ester

(3R)-1,2-ジチオラン-3α-ペンタン酸5′-アデニリル
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: C18H26N5O8PS2
Molecular formula furigana: C18-H26-N5-O8-P-S2
Molecular weight: 535.530
InChI: InChI=1S/C18H26N5O8PS2/c19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)11(30-18)7-29-32(27,28)31-12(24)4-2-1-3-10-5-6-33-34-10/h8-11,14-15,18,25-26H,1-7H2,(H,27,28)(H2,19,20,21)/t10-,11-,14-,15-,18-/m1/s1
InChI key: QWEGOCJRZOKSOE-ADUAKINBSA-N
SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2CCSS2)[C@@H](O)[C@H]1O
Systematic name  (3):
  • (3R)-1,2-ジチオラン-3α-ペンタン酸5′-アデニリル
  • {[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}({5-[(3R)-1,2-ジチオラン-3-イル]ペンタノイル}オキシ)ホスフィン酸
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({5-[(3R)-1,2-dithiolan-3-yl]pentanoyl}oxy)phosphinic acid
Other name (1):
  • (3R)-1,2-Dithiolane-3α-pentanoic acid 5′-adenylyl ester
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