AG000FCU

114870-03-0 | α-D-Glucopyranoside, methyl O-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-O-β-D-glucopyranuronosyl-(1→4)-O-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-O-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-, 6-(hydrogen sulfate), sodium salt (1:10)

AG000FCU

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CAS Number	114870-03-0
Catalog Number	AG000FCU(AGN-PC-0P6V2P)
Chemical Name	α-D-Glucopyranoside, methyl O-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-O-β-D-glucopyranuronosyl-(1→4)-O-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-O-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-, 6-(hydrogen sulfate), sodium salt (1:10)
IUPAC Name	decasodium;(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylate
InChI	InChI=1S/C31H53N3O49S8.10Na/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56;;;;;;;;;;/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;;;;;;;/q;10*+1/p-10/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-;;;;;;;;;;/m1........../s1
InChI Key	XEKSTYNIJLDDAZ-JASSWCPGSA-D
MDL Number	MFCD06794972
Molecular Formula	C31H43N3Na10O49S8
Molecular Weight	1728.0815
SMILES	[O-]S(N[C@H]([C@@H](OS([O-])(=O)=O)[C@@H]1O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@H]([C@H](NS([O-])(=O)=O)[C@@H](O)[C@@H]3O)O[C@@H]3COS([O-])(=O)=O)C([O-])=O)[C@@H](O[C@@H]4[C@H](C([O-])=O)O[C@H]([C@@H]([C@H]4O)OS([O-])(=O)=O)O[C@@H]5[C@@H](COS([O-])(=O)=O)O[C@H](OC)[C@H](NS([O-])(=O)=O)[C@H]5O)O[C@@H]1COS([O-])(=O)=O)(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
UNII	X0Q6N9USOZ
Synonyms	Arixtra, fondaparinux, fondaparinux sodium, Quixidar, Fondaparinux sodium, Arixtra, Quixidar, Fondaparin sodium, 114870-03-0, UNII-X0Q6N9USOZ, SR-90107A, X0Q6N9USOZ, Xantidar, Org-31540, SR 90107A, IC 85158, Arixtra (TN), fondaparinux-sodium, Fondaparinux sodium (JAN/USAN/INN), Fondaparinux sodium [USAN:INN:BAN], GSK-576428, SR-90107, AC1LCS4W, CHEMBL1200644, alpha-D-Glucopyranoside, methyl O-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1-4)-O-beta-D-glucopyranuronosyl(1-4)-O-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1-4)-O-2-O-sulfo-alpha-L-idopyranuronosyl-(1-4)-2-deoxy-2-(sulfoamino)-, 6-(hydrogen sulfate), decasodium salt, Methly O-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1-4)-O-beta-D-glucopyranuronosyl-(1-4)-O-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1-4)-O-2-O-sulfo-alpha-L-idopyranuronosyl-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, decasodium salt, C31H43N3O49S8.10Na, Natural heparin pentasaccharide Sodium, AKOS005146286, SC-28606, D01844, I06-1946, alpha-D-Glucopyranoside, methyl O-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1-->4)-O-beta-D-glucopyranuronosyl-(1-->4)-O-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1-->4)-O-2-O-sulfo-alpha-L-idopyranuronosyl-(1-->4)-2-deoxy-2-(sulfoamino)-, 6-(hydrogen sulfate), sodium salt (1:10), Fondaparinux, D0NE9T, Fondaparinux sodium [USAN], Org 31540, C31H53N3O49S8.10Na, CID636380, ACN-048223, C31-H53-N3-O49-S8.10Na, C438268, D000077425, (2S,3S,4R,5R,6R)-6-((2R,3R,4R,5R,6R)-6-((2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-((2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl)oxy-5-sulfooxyoxan-3-yl)oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl)oxy-3-((2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl)oxy-4,5-dihydroxyoxane-2-carboxylic acid, decasodium (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylate,

Complexity	3330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	11
Defined Atom Stereocenter Count	25
Defined Bond Stereocenter Count	0
Exact Mass	1726.771g/mol
Formal Charge	0
Heavy Atom Count	101
Hydrogen Bond Acceptor Count	52
Hydrogen Bond Donor Count	9
Isotope Atom Count	0
Molecular Weight	1728.035g/mol
Monoisotopic Mass	1726.771g/mol
Rotatable Bond Count	20
Topological Polar Surface Area	901A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number