3′-Deoxyadenosine 5′-(trihydrogen diphosphate)

CAS Registry Number®

13052-95-4
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CAS Name

3′-Deoxyadenosine 5′-(trihydrogen diphosphate)

Molecular Formula

C10H15N5O9P2

Molecular Mass

411.20

Cite this Page

3′-Deoxyadenosine 5′-(trihydrogen diphosphate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13052-95-4 (retrieved 2024-05-15) (CAS RN: 13052-95-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H15N5O9P2/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(23-10)2-22-26(20,21)24-25(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1

InChIKey

InChIKey=OBEBFUHFXYDSAW-BAJZRUMYSA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(=O)(O)O)(=O)O)C1

Canonical SMILES

O=P(O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1

Other Names for this Substance

  • Adenosine 5′-(trihydrogen diphosphate), 3′-deoxy-
  • Adenosine, 3′-deoxy-, 5′-(trihydrogen pyrophosphate)
  • Adenosine, 3′-deoxy-, 5′-pyrophosphate
  • 3′-Deoxyadenosine 5′-(trihydrogen diphosphate)
  • 3′-dADP

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