| CAS Number | 261506-45-0 |
| Catalog Number | AG002RVK(AGN-PC-0WANIV) |
| Chemical Name | Sodium 2-((2-amino-6-oxo-1H-purin-9(6H)-yl)methoxy)ethanolate dihydrate |
| IUPAC Name | sodium;2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethanolate;dihydrate |
| InChI | InChI=1S/C8H10N5O3.Na.2H2O/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;;;/h3H,1-2,4H2,(H3,9,11,12,15);;2*1H2/q-1;+1;; |
| InChI Key | QLLUCCIBZOGWCG-UHFFFAOYSA-N |
| MDL Number | MFCD28902495 |
| Molecular Formula | C8H16N5NaO5 |
| Molecular Weight | 285.2329 |
| SMILES | O.O.[NaH].Nc1nc(=O)c2ncn(COCCO)c2[nH]1 |
| Synonyms | Sodium 2-((2-amino-6-oxo-1H-purin-9(6H)-yl)methoxy)ethanolate dihydrate,
261506-45-0,
AK166917,
KS-00000SV1,
MFCD28902495,
AKOS025286035,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.22g/mol |
| Monoisotopic Mass | 283.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| 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-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number