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Structure

2-Chloroadenosine triphosphate tetrasodium hydrate

CAS
49564-60-5
Catalog Number
ACM49564605
Category
Other Products
Molecular Weight
629.55 (anhydrous ba
Molecular Formula
C10H11ClN5Na4O13P3??·xH2O

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Specification

Synonyms
2-Chloro-ATP, 2-Chloroadenosine-5-triphosphate, MolPort-002-054-537, CID162565, 49564-60-5
IUPAC Name
[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Canonical SMILES
C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(N=C2N)Cl
InChI Key
RNGCVFCOKZEZFL-UUOKFMHZSA-N
H-Bond Acceptor
17
H-Bond Donor
7
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