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 esterMolecular Formula
C12H20N5O13P3Molecular Mass
535.23Cite 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 ) (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