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Calcium D-saccharate

CAT: 0931-TSW-00923-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TSW-00923-01Size:100 mg
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CAS Number
5793-88-4
Bioactivity
Calcium D-saccharate is a reagent used in biochemical reactions.
Smiles
[O-]C([C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O)=O.[Ca+2]
Molecular Formula
C6H8CaO8
Molecular Weight
248.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Calcium Saccharate

Pharmaceutic Aid (Stabilizer)

CAS Number5793-88-4
PubChem CID154911
IUPAC Namecalcium (2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
Molecular FormulaC6H8CaO8
Molecular Weight248.20
Topological Polar Surface Area161
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity191
SMILES
[C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O.[Ca+2]
InChI
InChI=1S/C6H10O8.Ca/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+2/p-2/t1-,2-,3-,4+;/m0./s1
InChIKey
UGZVNIRNPPEDHM-SBBOJQDXSA-L
Chemical Structure
2D Structure
2D structure of Calcium Saccharate
CAS: 5793-88-4
CID: 154911
Formula: C6H8CaO8
MW: 248.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight248.20
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass247.9845081
Monoisotopic Mass247.9845081
Topological Polar Surface Area161 Ų
Heavy Atom Count15
Formal Charge0
Complexity191
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes