136098-07-2 , Heparin disaccharide IV-A, sodium salt

136098-07-2 , Heparin disaccharide IV-A, sodium salt
ΔGlcAβ(1-4)GlcNAc
Cas:136098-07-2
C14H20NO11·Na / 401.30

Heparin disaccharide IV-A, sodium salt

ΔGlcAβ(1-4)GlcNAc

Heparin disaccharide IV-A sodium salt is a synthetic heparin derivative that has a disaccharide repeating unit. It is commonly used as an anticoagulant in scientific experiments. Heparin, the parent molecule of heparin disaccharide IV-A sodium salt, is a naturally occurring polysaccharide that is found in the body. Heparin is primarily found in mast cells and the liver, and it is also present in some species of animals, such as pigs.

CAS Number	136098-07-2
Product Name	Heparin disaccharide IV-A sodium salt
IUPAC Name	sodium;(2R,3R,4S)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
Molecular Formula	C14H20NNaO11
Molecular Weight	401.3 g/mol
InChI	InChI=1S/C14H21NO11.Na/c1-4(17)15-8-10(20)11(7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22;/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22);/q;+1/p-1/t5-,7+,8+,9+,10+,11+,13?,14-;/m0./s1
InChI Key	JFYRBENAXAIUCK-TWHLZWKQSA-M
SMILES	CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C=C(O2)C(=O)[O-])O)O)O.[Na+]
Canonical SMILES	CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C=C(O2)C(=O)[O-])O)O)O.[Na+]
Isomeric SMILES	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)[O-])O)O)O.[Na+]