| CAS Number | 102783-53-9 |
| Catalog Number | AG003FKV(AGN-PC-0ORUAE) |
| Chemical Name | 2,3-Diphospho-D-glyceric acid pentasodium salt |
| IUPAC Name | pentasodium;(2R)-2,3-diphosphonatooxypropanoate |
| InChI | InChI=1S/C3H8O10P2.5Na/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8;;;;;/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11);;;;;/q;5*+1/p-5/t2-;;;;;/m1...../s1 |
| InChI Key | KPRMRMXBVAUXKZ-WXQRJNCRSA-I |
| MDL Number | MFCD00070074 |
| Molecular Formula | C3H3Na5O10P2 |
| Molecular Weight | 375.9463 |
| SMILES | O=C([O-])[C@H](OP([O-])([O-])=O)COP([O-])([O-])=O.[Na+].[Na+].[Na+].[Na+].[Na+] |
| Synonyms | 102783-53-9,
Propanoic acid,2,3-bis(phosphonooxy)-, pentasodium salt, (2R)- (9CI),
2,3-Diphospho-D-glyceric acid pentasodium salt,
AC1MC6U0,
Pentasodium (2R)-2,3-diphosphonatooxypropanoate,
MFCD00070074,
AKOS015909093,
AKOS024256145,
C-53170,
I14-33995,
[R,(?)]-2,3-Bis[[di(sodiooxy)phosphinyl]oxy]propionic acid sodium salt,
CID2762423,
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| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 6 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 375.869g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 375.943g/mol |
| Monoisotopic Mass | 375.869g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 185A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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