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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Also known as: 56401-20-8, Alpha-d-glucose-1-phosphate na2-salt, U4hff7e3pm, Alpha-d-glucose 1-phosphate disodium salt, Cori ester, Alpha-d-glucose-1-phosphate disodium salt tetrahydrate

Molecular Formula

C₆H₁₁Na₂O₉P

Molecular Weight

304.10 g/mol

InChI Key

DCOZWBXYGZXXRX-PKXGBZFFSA-L

FDA UNII

U4HFF7E3PM

1 2D Structure

Alpha-Glucose-1-Phosphate Disodium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

disodium;[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate

2.1.2 InChI

InChI=1S/C6H13O9P.2Na/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;/h2-10H,1H2,(H2,11,12,13);;/q;2*+1/p-2/t2-,3-,4+,5-,6-;;/m1../s1

2.1.3 InChI Key

DCOZWBXYGZXXRX-PKXGBZFFSA-L

2.1.4 Canonical SMILES

C(C1C(C(C(C(O1)OP(=O)([O-])[O-])O)O)O)O.[Na+].[Na+]

2.1.5 Isomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])[O-])O)O)O)O.[Na+].[Na+]

2.2 Other Identifiers

2.2.1 UNII

U4HFF7E3PM

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Alpha-d-glucopyranose 1-phosphate

2.3.2 Depositor-Supplied Synonyms

1. 56401-20-8

2. Alpha-d-glucose-1-phosphate Na2-salt

3. U4hff7e3pm

4. Alpha-d-glucose 1-phosphate Disodium Salt

5. Cori Ester

6. Alpha-d-glucose-1-phosphate Disodium Salt Tetrahydrate

7. Alpha-d-glucopyranose 1-phosphate

8. Unii-u4hff7e3pm

9. Einecs 260-154-1

10. Schembl7114633

11. Disodium Glucose Phosphate

12. Dtxsid601036175

13. Alpha-d-glucopyranose, 1-(dihydrogen Phosphate), Disodium Salt

14. Disodium Alpha-d-glucose 1-phosphate

15. Disodium Alpha-d-glucose-1-phosphate

16. Disodium Glucose Phosphate [inci]

17. Alpha -d-glucose 1-phosphate Disodium Salt

18. .alpha.-glucose-1-phosphate Disodium

19. D95942

20. Alpha-d-glucose-1-phosphate Disodium Salt Hydrate

21. .alpha.-d-glucose 1-phosphate Disodium Salt

22. 1-o-[bis(sodiooxy)phosphinyl]-alpha-d-glucopyranose

23. Q27290675

24. .alpha.-d-glucopyranosyl Phosphate Disodium Salt

25. .alpha.-d-glucose 1-(dihydrogen Phosphate) Disodium Salt

26. .alpha.-d-glucopyranose, 1-(dihydrogen Phosphate), Sodium Salt (1:2)

27. Sodium (2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl Phosphate

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₁Na₂O₉P
Molecular Weight	304.10 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Exact Mass	303.99360749 g/mol
Monoisotopic Mass	303.99360749 g/mol
Topological Polar Surface Area	163 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	266
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3