| CAS Number | 1638750-96-5 |
| Catalog Number | AG001UGI |
| Chemical Name | Adenosine, [P(R)]-5'-O-[(R)-hydroxymercaptophosphinyl]-P-thioadenylyl-(2'→5')-, cyclic nucleotide, ammonium salt (1:2) |
| InChI | InChI=1S/C20H24N10O10P2S2.2H3N/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)13-8(38-19)2-36-42(34,44)40-14-11(31)7(1-35-41(33,43)39-13)37-20(14)30-6-28-10-16(22)24-4-26-18(10)30;;/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,43)(H,34,44)(H2,21,23,25)(H2,22,24,26);2*1H3/t7-,8-,11?,12?,13+,14-,19?,20?,41?,42?;;/m1../s1 |
| InChI Key | VZYXAGGQHVUTHM-UXFQZYQHSA-N |
| MDL Number | MFCD30537182 |
| Molecular Formula | C20H30N12O10P2S2 |
| Molecular Weight | 724.6041 |
| SMILES | O[C@@H]([C@H](N1C=NC2=C(N)N=CN=C21)O3)[C@@](O[P@@]4([S-])=O)([H])[C@@]3([H])CO[P@](O[C@@]5([H])[C@H](N6C=NC7=C(N)N=CN=C76)O[C@@]([H])([C@]5(O)[H])CO4)([S-])=O.[NH4+].[NH4+] |
| Synonyms | ML RR-S2 CDA Ammonium,
1638750-96-5,
|
| Complexity | 1180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 724.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 46 |
| Hydrogen Bond Acceptor Count | 22 |
| Hydrogen Bond Donor Count | 8 |
| Isotope Atom Count | 0 |
| Molecular Weight | 724.602g/mol |
| Monoisotopic Mass | 724.112g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 308A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number