Heparinsodiumsalt

Base Information

• Chemical Name: Heparinsodiumsalt
• CAS No.: 76149-63-8
• Molecular Formula: C12H21 N O20 S3
• Molecular Weight: 595.48
• DSSTox Substance ID: DTXSID10908043
• Nikkaji Number: J1.207.985K
• Wikidata: Q76411557
• Mol file: 76149-63-8.mol

Synonyms:Heparinsodiumsalt;(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-4,6-dihydroxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid;Heparin derived disaccharide;76149-63-8;IdoA2S(a1-4)a-GlcNS6S;SCHEMBL4593793;DTXSID10908043;CHEBI:151315;2-O-sulfo-alpha-L-ido-hexopyranosyluronic acid-(1->4)-2-deoxy-6-O-sulfo-2-sulfoamino-alpha-D-gluco-hexopyranose;363148-40-7;4-O-(2-O-Sulfo-alpha-L-idopyranuronosyl)-2-(sulfoamino)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose;alpha-D-Glucopyranose, 2-deoxy-2-(sulfoamino)-4-O-(2-O-sulfo-alpha-L-idopyranuronosyl)-, 6-(hydrogen sulfate);WURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NSO/3=O/3=O_6*OSO/3=O/3=O][a2121A-1a_1-5_2*OSO/3=O/3=O]/1-2/a4-b1

Chemical Property of Heparinsodiumsalt

Chemical Property:

• PSA: 355.74000
• LogP: -3.82540
• XLogP3: -6
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 10
• Exact Mass: 594.98190558
• Heavy Atom Count: 36
• Complexity: 1090

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)OC2C(C(C(C(O2)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O
• Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O