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

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2D Structure
1. Also known as:
Molecular Formula
C12H17NO20S3-4
Molecular Weight
591.5  g/mol
InChI Key
OHJKXVLJWUPWQG-UHFFFAOYSA-J

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-[4,6-dihydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-sulfonatooxyoxane-2-carboxylate
2.1.2 InChI
InChI=1S/C12H21NO20S3/c14-4-3(13-34(20,21)22)11(19)30-2(1-29-35(23,24)25)7(4)31-12-9(33-36(26,27)28)6(16)5(15)8(32-12)10(17)18/h2-9,11-16,19H,1H2,(H,17,18)(H,20,21,22)(H,23,24,25)(H,26,27,28)/p-4
2.1.3 InChI Key
OHJKXVLJWUPWQG-UHFFFAOYSA-J
2.1.4 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-]
2.2 Create Date
2012-08-20
3 Chemical and Physical Properties
Molecular Weight 591.5 g/mol
Molecular Formula C12H17NO20S3-4
XLogP3-5.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count21
Rotatable Bond Count6
Exact Mass590.95060545 g/mol
Monoisotopic Mass590.95060545 g/mol
Topological Polar Surface Area376 Ų
Heavy Atom Count36
Formal Charge-4
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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