3Names and Identifiers

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3.1Computed Descriptors
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3.1.1IUPAC Name
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4-hydroxy-6-[4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3-
methoxy-5-sulfooxyoxane-2-carboxylic acid
Computed  by LexiChem  2.6.6 (PubChem  release  2019.06.18)

PubChem

3.1.2InChI
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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)
Computed  by InChI 1.0.5  (PubChem release 2019.06.18)

PubChem

3.1.3InChI Key
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HXSDFQWQRCUQHF-UHFFFAOYSA-N
Computed  by InChI 1.0.5  (PubChem release 2019.06.18)

PubChem

3.1.4Canonical SMILES
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COC1C(C(C(OC1C(=O)O)OC2C(OC(C(C2O)NS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)
(=O)O)O
Computed  by OEChem  2.1.5 (PubChem  release  2019.06.18)

PubChem

3.2Molecular Formula
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C14H25NO20S3
Computed  by PubChem 2.1  (PubChem release 2019.06.18)

PubChem

3.3Other Identifiers
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3.3.1CAS
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9045-22-1
ChemIDplus; EPA Chemicals under the TSCA; EPA DSSTox; European Chemicals Agency (ECHA)

3.3.2European Community (EC) Number

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686-293-1
European Chemicals Agency (ECHA)

3.3.3DSSTox Substance ID
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DTXSID0093893
EPA DSSTox

3.4Synonyms
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3.4.1Depositor-Supplied Synonyms
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Heparin lithium salt
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