| CAS Number | 113599-17-0 |
| Catalog Number | AG000936(AGN-PC-0P52NL) |
| Chemical Name | alpha-D-Ribose 1,5-Bis(phosphate) Tetrasodium Salt |
| IUPAC Name | tetrasodium;[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl] phosphate |
| InChI | InChI=1S/C5H12O11P2.4Na/c6-3-2(1-14-17(8,9)10)15-5(4(3)7)16-18(11,12)13;;;;/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13);;;;/q;4*+1/p-4/t2-,3-,4-,5-;;;;/m1..../s1 |
| InChI Key | NOGFWTMOJJPOTG-HPORTLBWSA-J |
| MDL Number | MFCD15072190 |
| Molecular Formula | C5H8Na4O11P2 |
| Molecular Weight | 398.0170 |
| SMILES | C(C1C(C(C(O1)OP(=O)([O-])[O-])O)O)OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+] |
| Synonyms | 113599-17-0,
alpha-D-Ribose 1,5-Bis(phosphate) Tetrasodium Salt,
DTXSID90554769,
MFCD15072190,
R0082,
Tetrasodium 1,5-di-O-phosphonato-alpha-D-ribofuranose,
NOGFWTMOJJPOTG-HPORTLBWSA-J,
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| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 397.913g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 398.015g/mol |
| Monoisotopic Mass | 397.913g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 195A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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