2′-O-(5-O-Phosphono-β-D-ribofuranosyl)-5′-adenylic acid
CAS Registry Number®
15720-01-1
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CAS Name
2′-O-(5-O-Phosphono-β-D-ribofuranosyl)-5′-adenylic acidMolecular Formula
C15H23N5O14P2Molecular Mass
559.32Cite this Page
2′-O-(5-O-Phosphono-β-D-ribofuranosyl)-5′-adenylic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=15720-01-1 (retrieved ) (CAS RN: 15720-01-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(9(22)6(32-14)2-31-36(27,28)29)34-15-10(23)8(21)5(33-15)1-30-35(24,25)26/h3-6,8-11,14-15,21-23H,1-2H2,(H2,16,17,18)(H2,24,25,26)(H2,27,28,29)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1
InChIKey
InChIKey=BHIWBSNWEZIHHL-ZQSHOCFMSA-N
SMILES
O([C@H]1[C@@H](O[C@H](COP(=O)(O)O)[C@H]1O)N2C=3C(N=C2)=C(N)N=CN3)[C@@H]4O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]4O
Canonical SMILES
O=P(O)(O)OCC1OC(OC2C(O)C(OC2N3C=NC=4C(=NC=NC43)N)COP(=O)(O)O)C(O)C1O
Other Names for this Substance
- 5′-Adenylic acid, 2′-O-(5-O-phosphono-β-D-ribofuranosyl)-
- Adenosine, 2′-O-β-D-ribofuranosyl-, 5′,5′′-bis(dihydrogen phosphate)
- 2′-O-(5-O-Phosphono-β-D-ribofuranosyl)-5′-adenylic acid
- 2′-(5′′-Phosphoribosyl)-5′-adenosine monophosphate
- iso-ADP-ribose
Deleted or Replaced CAS Registry Numbers
11045-18-4
