Molecules/2-O-Sulfohexopyranuronosyl-(1->4)-2-deoxy-3-O-sulfo-2-(sulfoamino)hexopyranosyl-(1->4)-2-O-sulfohexopyranuronosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfohexopyranose
2-O-Sulfohexopyranuronosyl-(1->4)-2-deoxy-3-O-sulfo-2-(sulfoamino)hexopyranosyl-(1->4)-2-O-sulfohexopyranuronosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfohexopyranose
6-[6-[6-[5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-2-carboxy-4-hydroxy-5-sulfooxyoxan-3-yl]oxy-2-(hydroxymethyl)-5-(sulfoamino)-4-sulfooxyoxan-3-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid
Molecular Identity
2-O-Sulfohexopyranuronosyl-(1->4)-2-deoxy-3-O-sulfo-2-(sulfoamino)hexopyranosyl-(1->4)-2-O-sulfohexopyranuronosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfohexopyranose
6-[6-[6-[5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-2-carboxy-4-hydroxy-5-sulfooxyoxan-3-yl]oxy-2-(hydroxymethyl)-5-(sulfoamino)-4-sulfooxyoxan-3-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid
PubChem CID: 772
2D Structure
Properties
C26H42N2O37S5
Molecular Formula
1134.90
Molecular Weight
g/mol
1134.0070
Exact Mass
Da
-10.8
XLogP
Drug-like (Lipinski: < 5)
652
TPSA
May have limited oral absorption
15
H-Bond Donors
38
H-Bond Acceptors
2410
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)OIsomeric SMILES
SMILES: CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)OSynonyms(20)
DTXSID808727622-o-sulfohexopyranuronosyl-(1->4)-2-deoxy-3-o-sulfo-2-(sulfoamino)hexopyranosyl-(1->4)-2-o-sulfohexopyranuronosyl-(1->4)-2-acetamido-2-deoxy-6-o-sulfohexopyranoseRefChem:935558GlyTouCan:G90061MSDTXCID50820351G90061MSClexaneParvoparinalpha-HeparinLMWHSandoparinPabyrinSubeparinTriofibanFragmin A
Data from PubChem (NCBI)
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Molecular Structure
2-O-Sulfohexopyranuronosyl-(1->4)-2-deoxy-3-O-sulfo-2-(sulfoamino)hexopyranosyl-(1->4)-2-O-sulfohexopyranuronosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfohexopyranose
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Drug Network
Trials and conditions connected to 2-O-Sulfohexopyranuronosyl-(1->4)-2-deoxy-3-O-sulfo-2-(sulfoamino)hexopyranosyl-(1->4)-2-O-sulfohexopyranuronosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfohexopyranose
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