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Technical details about Heparin Lithium, learn more about the structure, uses, toxicity, action, side effects and more

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$ API Ref.Price (USD/KG) : 42Xls
2D Structure
Also known as: 9045-22-1, 4-hydroxy-6-[4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3-methoxy-5-sulfooxyoxane-2-carboxylic acid, Schembl14960713, Bcp32136, Ft-0660597, Heparin lithium salt from porcine intestinal mucosa
Molecular Formula
C14H25NO20S3
Molecular Weight
623.5  g/mol
InChI Key
HXSDFQWQRCUQHF-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-hydroxy-6-[4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3-methoxy-5-sulfooxyoxane-2-carboxylic acid
2.1.2 InChI
InChI=1S/C14H25NO20S3/c1-29-9-7(17)10(35-38(26,27)28)14(34-11(9)12(18)19)33-8-4(3-31-37(23,24)25)32-13(30-2)5(6(8)16)15-36(20,21)22/h4-11,13-17H,3H2,1-2H3,(H,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)
2.1.3 InChI Key
HXSDFQWQRCUQHF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1C(C(C(OC1C(=O)O)OC2C(OC(C(C2O)NS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)(=O)O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 9045-22-1

2. 4-hydroxy-6-[4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3-methoxy-5-sulfooxyoxane-2-carboxylic Acid

3. Schembl14960713

4. Bcp32136

5. Ft-0660597

6. Heparin Lithium Salt From Porcine Intestinal Mucosa

2.3 Create Date
2009-11-19
3 Chemical and Physical Properties
Molecular Weight 623.5 g/mol
Molecular Formula C14H25NO20S3
XLogP3-5.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count21
Rotatable Bond Count12
Exact Mass623.01320571 g/mol
Monoisotopic Mass623.01320571 g/mol
Topological Polar Surface Area343 Ų
Heavy Atom Count38
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1