Adenylyl-(3′→5′)-cytidylyl-(3′→5′)-cytidine

CAS Registry Number®

3128-37-8
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CAS Name

Adenylyl-(3′→5′)-cytidylyl-(3′→5′)-cytidine

Molecular Formula

C28H37N11O18P2

Molecular Mass

877.60

Cite this Page

Adenylyl-(3′→5′)-cytidylyl-(3′→5′)-cytidine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3128-37-8 (retrieved 2024-04-28) (CAS RN: 3128-37-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H37N11O18P2/c29-13-1-3-37(27(45)35-13)24-17(42)16(41)11(54-24)6-51-58(47,48)57-21-12(55-25(19(21)44)38-4-2-14(30)36-28(38)46)7-52-59(49,50)56-20-10(5-40)53-26(18(20)43)39-9-34-15-22(31)32-8-33-23(15)39/h1-4,8-12,16-21,24-26,40-44H,5-7H2,(H,47,48)(H,49,50)(H2,29,35,45)(H2,30,36,46)(H2,31,32,33)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,24-,25-,26-/m1/s1

InChIKey

InChIKey=VZJYWZRAHCUTCH-FIVCZYLNSA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](CO)[C@H]1OP(OC[C@@H]4[C@@H](OP(OC[C@H]5O[C@H]([C@H](O)[C@@H]5O)N6C(=O)N=C(N)C=C6)(=O)O)[C@@H](O)[C@@H](O4)N7C(=O)N=C(N)C=C7)(=O)O

Canonical SMILES

O=C1N=C(N)C=CN1C2OC(COP(=O)(O)OC3C(O)C(OC3COP(=O)(O)OC4C(O)C(OC4CO)N5C=NC=6C(=NC=NC65)N)N7C=CC(=NC7=O)N)C(O)C2O

Other Names for this Substance

  • Cytidine, adenylyl-(3′→5′)-cytidylyl-(3′→5′)-
  • Adenosine, cytidylyl-(5′→3′)-cytidylyl-(5′→3′)-
  • Adenylyl-(3′→5′)-cytidylyl-(3′→5′)-cytidine

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