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Sodiumα-glucoheptonate

CAT: 0013-GTR19247871-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19247871-01Size:100 mg
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Description
Sodium α-glucoheptonate, 97%, is a versatile chelating agent capable of forming stable complexes with various metal ions.
CAS Number
13007-85-7
Smiles
O=C (O[Na]) [C@H] (O) [C@H] (O) [C@@H] (O) [C@H] (O) [C@H] (O) CO
Molecular Formula
C7H13NaO8
Molecular Weight
248.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gluceptate Sodium

See also: D-gluco-Heptonic acid, sodium salt (1:1), (2xi)- (annotation moved to); Gluceptate sodium dihydrate (annotation moved to); glucoheptonic acid, monosodium salt (annotation moved to) ... View More ...

CAS Number13007-85-7
PubChem CID23664054
IUPAC Namesodium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
Molecular FormulaC7H13NaO8
Molecular Weight248.16
Topological Polar Surface Area162
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity213
SMILES
C([C@H]([C@H]([C@@H]([C@H]([C@H](C(=O)[O-])O)O)O)O)O)O.[Na+]
InChI
InChI=1S/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
InChIKey
FMYOMWCQJXWGEN-WYRLRVFGSA-M
Chemical Structure
2D Structure
2D structure of Gluceptate Sodium
CAS: 13007-85-7
CID: 23664054
Formula: C7H13NaO8
MW: 248.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.16
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass248.05081165
Monoisotopic Mass248.05081165
Topological Polar Surface Area162 Ų
Heavy Atom Count16
Formal Charge0
Complexity213
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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