Adenosine 3′-(hexahydrogen pentaphosphate), P′′′′→5′-ester with adenosine
CAS Registry Number®
50304-44-4
No image available.
CAS Name
Adenosine 3′-(hexahydrogen pentaphosphate), P′′′′→5′-ester with adenosineMolecular Formula
C20H29N10O22P5Molecular Mass
916.37Cite this Page
Adenosine 3′-(hexahydrogen pentaphosphate), P′′′′→5′-ester with adenosine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=50304-44-4 (retrieved ) (CAS RN: 50304-44-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(33)11(32)8(47-19)2-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)48-14-7(1-31)46-20(13(14)34)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKey
InChIKey=FHPHAVQMFVPYLU-XPWFQUROSA-N
SMILES
O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](CO)[C@H]1OP(OP(OP(OP(OP(OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N5C=6C(N=C5)=C(N)N=CN6)(=O)O)(=O)O)(=O)O)(=O)O)(=O)O
Canonical SMILES
O=P(O)(OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC4C(O)C(OC4CO)N5C=NC=6C(=NC=NC65)N
Other Names for this Substance
- Adenosine 3′-(hexahydrogen pentaphosphate), P′′′′→5′-ester with adenosine
- ApppppA
Deleted or Replaced CAS Registry Numbers
56432-04-3
