3′-Adenylic acid, 2′-deoxy-N-methyl-, 5′-(dihydrogen phosphate)

CAS Registry Number®

101204-49-3
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CAS Name

3′-Adenylic acid, 2′-deoxy-N-methyl-, 5′-(dihydrogen phosphate)

Molecular Formula

C11H17N5O9P2

Molecular Mass

425.23

Cite this Page

3′-Adenylic acid, 2′-deoxy-N-methyl-, 5′-(dihydrogen phosphate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=101204-49-3 (retrieved 2024-05-20) (CAS RN: 101204-49-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H17N5O9P2/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)/t6-,7+,8+/m0/s1

InChIKey

InChIKey=CCPLITQNIFLYQB-XLPZGREQSA-N

SMILES

N(C)C1=C2C(N(C=N2)[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)C3)=NC=N1

Canonical SMILES

O=P(O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)NC)CC1OP(=O)(O)O

Other Names for this Substance

  • 3′-Adenylic acid, 2′-deoxy-N-methyl-, 5′-(dihydrogen phosphate)
  • MRS 2179

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