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Sodium Lactobionate

CAT: 0063-89985785-100gSize: 100 gDry Ice: NoHazardous: No
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CAT#:0063-89985785-100gSize:100 g
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CAS Number
27297-39-8
Molecular Formula
C12H21O12·Na
Molecular Weight
380.28

Chemical Information

Sodium lactobionate
CAS Number27297-39-8
PubChem CID53486225
IUPAC Namesodium (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 FormulaC12H21NaO12
Molecular Weight380.28
Topological Polar Surface Area220
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity412
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.[Na+]
InChI
InChI=1S/C12H22O12.Na/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;/h3-10,12-20H,1-2H2,(H,21,22);/q;+1/p-1/t3-,4-,5+,6+,7-,8-,9-,10-,12+;/m1./s1
InChIKey
AQKFVNLHZYOMKQ-WWNCWODVSA-M
Chemical Structure
2D Structure
2D structure of Sodium lactobionate
CAS: 27297-39-8
CID: 53486225
Formula: C12H21NaO12
MW: 380.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.28
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass380.09307038
Monoisotopic Mass380.09307038
Topological Polar Surface Area220 Ų
Heavy Atom Count25
Formal Charge0
Complexity412
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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