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Fondaparinux sodium

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Name

Fondaparinux sodium

EINECS N/A
CAS No. 114870-03-0 Density N/A
PSA 900.82000 LogP -9.34120
Solubility N/A Melting Point N/A
Formula C31H43N3Na10O49S8 Boiling Point N/A
Molecular Weight 1728.1 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 114870-03-0 (Fondaparinux sodium) Hazard Symbols N/A
Synonyms

a-D-Glucopyranoside, methylO-2-deoxy-6-O-sulfo-2-(sulfoamino)-a-D-glucopyranosyl-(1?;4)-O-b-D-glucopyranuronosyl-(1?;4)-O-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-a-D-glucopyranosyl-(1?;4)-O-2-O-sulfo-a-L-idopyranuronosyl-(1?;4)-2-deoxy-2-(sulfoamino)-,6-(hydrogen sulfate), decasodium salt (9CI);Arixtra;IC 85158;IC 851589;Org 31540;SR 90107A;Xantidar;

Article Data 1

Fondaparinux sodium Specification

The CAS register number of Fondaparinux sodium is 114870-03-0. It also can be called as 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), decasodium salt and the IUPAC name about this chemical is 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. The molecular formula about this chemical is C31H43N3Na10O49S8 and the molecular weight is 1728.08. Classification code about this chemical are Anticoagulants, Antithrombotic [indirect and selective synthetic factor Xa inhibitor], Cardiovascular Agents, Fibrin Modulating Agents, Fibrinolytic agents andd Hematologic Agents. This chemical is a synthetic analog of the pentasaccharide sequence that mediates the interaction of Heparin with Antithrombins and inhibits factor Xa and it can be used for the for prevention of venous thromboembolism after surgery. In addition, it has been investigated for use in conjunction with streptokinase, and also it can be used as treatment against Heparin-induced Thrombocytopenia.

Physical properties about Fondaparinux sodium are: (1)ACD/LogP: -4.89; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -17.63; (4)ACD/LogD (pH 7.4): -17.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 52; (10)#H bond donors: 19; (11)#Freely Rotating Bonds: 33; (12)Polar Surface Area: 780.15Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)N[C@@H]5[C@@H](O)[C@H](O)[C@H](O[C@@H]5O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1C([O-])=O)O[C@H]2[C@H](OS([O-])(=O)=O)[C@@H](NS([ O-])(=O)=O)[C@H](O[C@@H]2COS([O-])(=O)=O)O[C@H]3[C@H](O)[C@@H](OS([O-])(=O)=O)[C@@H](O[C@H]3C([O-])=O)O[C@@H]4[C@H](O[C@H](OC)[C@H](NS([O-])(=O)=O)[C@H]4O)COS([O-])(=O)=O)COS([O-])(=O)=O
(2)InChI: InChI=1/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
(3)InChIKey: XEKSTYNIJLDDAZ-HFUDZEBDBY
(4)Std. 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
(5)Std. InChIKey: XEKSTYNIJLDDAZ-JASSWCPGSA-D

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