ionz

CAS Number 9067-32-7
Catalog Number io-406810
Molecular Weight 799.6000
SMILES CC(=O)NC1C(C(C(OC1O)CO)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)NC(=O)C)O)O.[Na+]

Size	QTY	Notes
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1	Healon
2	Hyaluronan
3	Hyaluronic acid sodium
4	sodium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
5	Hyalgan

Molecular Formula	C28H44N2NaO23+
Canonical SMILES	CC(=O)NC1C(C(C(OC1O)CO)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)NC(=O)C)O)O.[Na+]
Isomeric SMILES	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)NC(=O)C)O)O.[Na+]
Molecular Weight	799.6000
InChIKey	YWIVKILSMZOHHF-QJZPQSOGSA-N
InChI	InChI=1S/C28H44N2O23.Na/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43;/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45);/q;+1/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20+,21+,22+,25-,26+,27-,28-;/m1./s1
XLogP	0.0000
ExactMass	799.2200
MonoisotopicMass	799.2200
TPSA	400.0000
Complexity	1300.0000
Charge	1.0000
HBondDonorCount	14
HBondAcceptorCount	23
RotatableBondCount	12
HeavyAtomCount	54
IsotopeAtomCount	0
AtomStereoCount	20
DefinedAtomStereoCount	20
UndefinedAtomStereoCount	0
BondStereoCount	0
DefinedBondStereoCount	0
UndefinedBondStereoCount	0
CovalentUnitCount	2
PatentCount	6426
PatentFamilyCount	1794
LiteratureCount	27689