| CAS Number | 103302-15-4 |
| Catalog Number | AG008XDO(AGN-PC-0OSAR8) |
| Chemical Name | D-Erythrose 4-phosphate (sodium) |
| IUPAC Name | sodium;[(2R,3R)-2,3-dihydroxy-4-oxobutyl] hydrogen phosphate |
| InChI | InChI=1S/C4H9O7P.Na/c5-1-3(6)4(7)2-11-12(8,9)10;/h1,3-4,6-7H,2H2,(H2,8,9,10);/q;+1/p-1/t3-,4+;/m0./s1 |
| InChI Key | KKDBADMPNGAKHM-RFKZQXLXSA-M |
| MDL Number | MFCD00057582 |
| Molecular Formula | C4H7Na2O7P |
| Molecular Weight | 244.0475 |
| SMILES | P(=O)(OC[C@H]([C@H](C=O)O)O)([O-])[O-].[Na+].[Na+] |
| Synonyms | D-Erythrose 4-phosphate sodium salt,
103302-15-4,
CTK8F0237,
DTXSID50718704,
4-Phospho-D-erythrose sodium salt,
AKOS015911202,
RT-012181,
J-000928,
I14-38546,
Sodium (2R,3R)-2,3-dihydroxy-4-oxobutyl hydrogen phosphate,
Butanal, 2,3-dihydroxy-4-(phosphonooxy)-, monosodium salt, (2R,3R)-,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.065g/mol |
| Monoisotopic Mass | 221.991g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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