Adenosine 5′-(tetrahydrogen triphosphate), P′′-ethyl ester

CAS Registry Number®

53352-41-3
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CAS Name

Adenosine 5′-(tetrahydrogen triphosphate), P′′-ethyl ester

Molecular Formula

C12H20N5O13P3

Molecular Mass

535.23

Cite this Page

Adenosine 5′-(tetrahydrogen triphosphate), P′′-ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53352-41-3 (retrieved 2024-09-21) (CAS RN: 53352-41-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H20N5O13P3/c1-2-26-31(20,21)29-33(24,25)30-32(22,23)27-3-6-8(18)9(19)12(28-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H,20,21)(H,22,23)(H,24,25)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1

InChIKey

InChIKey=ISCLZDJGLPCZAS-WOUKDFQISA-N

SMILES

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

Canonical SMILES

O=P(O)(OCC)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O

Other Names for this Substance

  • Adenosine 5′-(tetrahydrogen triphosphate), P′′-ethyl ester
  • ATP P′′-ethyl ester