Calcium Lactobionate Hydrate - ≥97%(T) , CAS No.5001-51-4

CAS: 5001-51-4 Cat. No.: C153256 Formula: C₂₄H₄₂CaO₂₄·xH₂O Peso molecolare: 754.65(as Anhydrous) Numero EC: 225-668-2 PubChem CID: 11170166

GRADE & PURITY ≥97%(T)

Synonyms

J-200199 | calciumlactobionate | Lactobionic acid, calcium salt (2:1) | Lactobionic acid calcium salt | Calcium lactobionate | NSC 15850 | CALCIUM BIS(4-O-(.BETA.-D-GALACTOSYL)-D-GLUCONATE) | NSC-15850 | RHEMCSSAABKPLI-SQCCMBKESA-L | 258F856K63 | Calcium

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

J-200199 | calciumlactobionate | Lactobionic acid, calcium salt (2:1) | Lactobionic acid calcium salt | Calcium lactobionate | NSC 15850 | CALCIUM BIS(4-O-(.BETA.-D-GALACTOSYL)-D-GLUCONATE) | NSC-15850 | RHEMCSSAABKPLI-SQCCMBKESA-L | 258F856K63 | Calcium

Specifiche e purezza

≥97%(T)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(T)

Nomi e identificatori

Pubchem Sid

504766109

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766109

Sorrisi canonici

C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)[O-])O)O)O)O)O)O.C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)[O-])O)O)O)O)O)O.[Ca+2]

IUPAC Name

calcium;(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

InChIKey

RHEMCSSAABKPLI-SQCCMBKESA-L

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

Isomeri 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]

CAS alternativo

110638-68-1

PubChem CID

11170166

Peso molecolare

754.65(as Anhydrous)

Reaxy-Rn

3834794

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acyl glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acyl glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acyl glycosides of mono- and disaccharides
• Alternative Parents: Disaccharides O-glycosyl compounds Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Sugar acids and derivatives Beta hydroxy acids and derivatives Heterocyclic fatty acids Hydroxy fatty acids Oxanes Secondary alcohols Carboxylic acid salts Acetals Polyols Carboxylic acids Oxacyclic compounds Organic calcium salts Monocarboxylic acids and derivatives Organic zwitterions Hydrocarbon derivatives Organic oxides Carbonyl compounds Primary alcohols
• Molecular Framework: Not available
• Substituents: Fatty acyl glycoside of mono- or disaccharide - Gluconic_acid - Disaccharide - Glycosyl compound - O-glycosyl compound - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Heterocyclic fatty acid - Hydroxy fatty acid - Fatty acid - Hydroxy acid - Oxane - Carboxylic acid salt - Secondary alcohol - Polyol - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic calcium salt - Carboxylic acid derivative - Carboxylic acid - Acetal - Organooxygen compound - Organic oxygen compound - Alcohol - Organic salt - Organic oxide - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Primary alcohol - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. These are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Rotazione specifica [α]: 24° (C=6,H2O)
• Peso molecolare: 754.700 g/mol
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 14
• Exact Mass: 754.169 Da
• Monoisotopic Mass: 754.169 Da
• Topological Polar Surface Area: 441.000 Ų
• Heavy Atom Count: 49
• Formal Charge: 0
• Complexity: 400.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 18
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3