5-(3-Amino-1-propyn-1-yl)-2′-deoxycytidine 5′-(tetrahydrogen triphosphate)

CAS Registry Number®

115899-39-3
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CAS Name

5-(3-Amino-1-propyn-1-yl)-2′-deoxycytidine 5′-(tetrahydrogen triphosphate)

Molecular Formula

C12H19N4O13P3

Molecular Mass

520.22

Cite this Page

5-(3-Amino-1-propyn-1-yl)-2′-deoxycytidine 5′-(tetrahydrogen triphosphate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=115899-39-3 (retrieved 2024-08-11) (CAS RN: 115899-39-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H19N4O13P3/c13-3-1-2-7-5-16(12(18)15-11(7)14)10-4-8(17)9(27-10)6-26-31(22,23)29-32(24,25)28-30(19,20)21/h5,8-10,17H,3-4,6,13H2,(H,22,23)(H,24,25)(H2,14,15,18)(H2,19,20,21)/t8-,9+,10+/m0/s1

InChIKey

InChIKey=LVTQIVFSMGDIPF-IVZWLZJFSA-N

SMILES

O=C1N(C=C(C#CCN)C(N)=N1)[C@@H]2O[C@H](COP(OP(OP(=O)(O)O)(=O)O)(=O)O)[C@@H](O)C2

Canonical SMILES

O=C1N=C(N)C(C#CCN)=CN1C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2

Other Names for this Substance

  • Cytidine 5′-(tetrahydrogen triphosphate), 5-(3-amino-1-propyn-1-yl)-2′-deoxy-
  • Cytidine 5′-(tetrahydrogen triphosphate), 5-(3-amino-1-propynyl)-2′-deoxy-
  • 5-(3-Amino-1-propyn-1-yl)-2′-deoxycytidine 5′-(tetrahydrogen triphosphate)
  • 2: PN: WO2012150035 PAGE: 45 claimed sequence

Deleted or Replaced CAS Registry Numbers

754211-54-6, 2338632-34-9