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Reference substances

Reference substances

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General information

Inventory

EC number:
235-849-8
EC name:
Sodium D-glycero-D-gulo-heptonate
CAS number:
13007-85-7

No inventory information available

Reference substance information

IUPAC name:
sodium 2,3,4,5,6,7-hexahydroxyheptanoate
Synonyms
Names:
ALPHA-D-GLUCOHEPTONIC ACID SODIUM SALT
D-glycero-D-gulo-Heptonic acid, monosodium salt
GLUCOSEMONOCARBOXYLIC ACID SODIUM SALT
SODIUM GLUCEPTATE
alpha-HGA
sodium D glucoheptonate
sodium alpha D-glucoheptonate
sodium alpha glucoheptonate
sodium alpha-glucoheptonate
Identifier:
IUPAC name
sodium (2R,3R,4S,5R,6R)-2,3,4,5,6,7,-hexahydroxyheptanoate
Identifier:
IUPAC name
sodium 2,3,4,5,6,7-hexahydroxyheptanoate sodium alpha-glucoheptonate sodium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
Identifier:
IUPAC name
sodium 2,3,4,5,6,7-hexahydroxyheptanoate (non-preferred name)
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+]

CAS information

CAS number:
13007-85-7

Related substances

Identifiers of related substancesopen allclose all
Identifier:
CAS number
Identity:
31138-65-5
Identifier:
CAS number
Identity:
30080-50-3
Identifier:
CAS number
Identity:
10094-62-9

Molecular and structural information

Molecular formula:
C7H14O8.Na
Molecular weight:
248.163
SMILES notation:
[Na+].OC[C@@H](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