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Lactobionic Acid Calcium Salt

CAT: 0024-sc-295353Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-295353Size:25 g
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CAS Number
5001-51-4

Chemical Information

Calcium lactobionate anhydrous

See also: Calcium Lactobionate (annotation moved to); Lactobionic Acid (annotation moved to); Lactobionate (annotation moved to).

CAS Number5001-51-4
PubChem CID11170166
IUPAC Namecalcium bis((2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate)
Molecular FormulaC24H42CaO24
Molecular Weight754.7
Topological Polar Surface Area441
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count24
Rotatable Bond Count14
Heavy Atom Count49
Formal Charge0
Complexity400
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[O-])O)O)O)O)O)O.C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[O-])O)O)O)O)O)O.[Ca+2]
InChI
InChI=1S/2C12H22O12.Ca/c2*13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;/h2*3-10,12-20H,1-2H2,(H,21,22);/q;;+2/p-2/t2*3-,4-,5+,6+,7-,8-,9-,10-,12+;/m11./s1
InChIKey
RHEMCSSAABKPLI-SQCCMBKESA-L
Chemical Structure
2D Structure
2D structure of Calcium lactobionate anhydrous
CAS: 5001-51-4
CID: 11170166
Formula: C24H42CaO24
MW: 754.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight754.7
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count24
Rotatable Bond Count14
Exact Mass754.1691931
Monoisotopic Mass754.1691931
Topological Polar Surface Area441 Ų
Heavy Atom Count49
Formal Charge0
Complexity400
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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