Registration Dossier

Reference substances

Reference substances

Currently viewing:

General information

Inventory

EC number:
250-480-2
EC name:
Sodium glucoheptonate
CAS number:
31138-65-5

No inventory information available

Reference substance information

IUPAC name:
disodium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate (2S,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
Synonyms
Names:
D-Gluco-heptonic acid, monosodium salt Monosodium D-glucoheptonate
D-gluco-Heptonic acid, monosodium salt, (2.xi.)-
D-gluco-Heptonic acid, monosodium salt, (2?)-
Sodium2,3,4,5,6,7-hexahydroxyheptanoate
Identifier:
CAS number
31138-65-5
Identifier:
IUPAC name
Sodium(3R, 4S, 5R, 6R)-2,3,4,5,6,7-hexahydroxyheptanoate
Identifier:
IUPAC name
sodium (3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
Identifier:
IUPAC name
sodium 2,3,4,5,6,7-hexahydroxyheptanoate
Identifier:
other: Molecular formula
C7H13O8.Na
Identifier:
other: InChl
InChI=1/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1/t2-,3-,4+,5-,6?;/m1./s1
Identifier:
other: SMILES notation
O[C@H]([C@H]([C@@H](C(=O)[O-])O)O)[C@@H]([C@@H](CO)O)O.[Na+] OCC(C(C(C(C(C([O-])=O)O)O)O)O)O.[Na+] [Na+].[O-]C(=O)C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Identifier:
other: SMILES notation
[O-]C(=O)C(O)C(O)C(O)C(O)C(O)CO.[Na+]
sodium 2,3,4,5,6,7-hexahydroxyheptanoate (non-preferred name)

CAS information

CAS number:
31138-65-5

Molecular and structural information

Molecular formula:
C7H14O8.Na
Molecular weight:
248.163
SMILES notation:
[Na+].OCC(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-]
InChl:
InChI=1/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1
Structural formula:
Chemical structure