Product Name :
Adenosine 5′-triphosphate P3-[1-(2-nitrophenyl)ethyl ester] disodium salt
Specifications & Purity :
CAS :
171800-68-3
Formula:
C18H21N6Na2O15P3
Molecular Weight :
700.29
MDL number:
Synonyms :
171800-68-3|Disodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [1-(2-nitrophenyl)ethoxy-oxidophosphoryl] phosphate|Adenosine 5′-triphosphate P3-[1-(2-nitrophenyl)ethyl ester] disodium salt|125229-58-5|Caged
Shipped In:
Dry ice
IUPAC Name :
disodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [1-(2-nitrophenyl)ethoxy-oxidophosphoryl] phosphate
INCHI :
InChI=1S/C18H23N6O15P3.2Na/c1-9(10-4-2-3-5-11(10)24(27)28)37-41(31,32)39-42(33,34)38-40(29,30)35-6-12-14(25)15(26)18(36-12)23-8-22-13-16(19)20-7-21-17(13)23;;/h2-5,7-9,12,14-15,18,25-26H,6H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H2,19,20,21);;/q;2*+1/p-2/t9?,12-,14-,15-,18-;;/m1../s1
InChi Key:
DWGOHIKVVKFGGU-DZHDPEGHSA-L
Canonical SMILES:
CC(C1=CC=CC=C1[N+](=O)[O-])OP(=O)([O-])OP(=O)([O-])OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O.[Na+].[Na+]
Isomeric SMILES:
CC(C1=CC=CC=C1[N+](=O)[O-])OP(=O)([O-])OP(=O)([O-])OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O.[Na+].[Na+]
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