fondaparinux sodium

fondaparinux sodium

formula | C_31H_43N_3Na_10O_49S_8 name | fondaparinux sodium IUPAC name | decasodium (2R, 3S, 4S, 5R, 6R)-3-[(2R, 3R, 4R, 5R, 6R)-5-[(2R, 3R, 4R, 5S, 6S)-6-carboxylato-5-[(2R, 3R, 4R, 5S, 6R)-4, 5-dihydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3, 4-dihydroxyoxan-2-yl]oxy-3-(sulfonatoamino)-4-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-hydroxy-6-[(2R, 3S, 4R, 5R, 6S)-4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxane-2-carboxylate mass fractions | C (carbon) 21.5% | H (hydrogen) 2.51% | N (nitrogen) 2.43% | Na (sodium) 13.3% | O (oxygen) 45.4% | S (sulfur) 14.8%

Structure diagram

vertex count | 101 edge count | 104 Schultz index | 188977 Wiener index | 46698 Hosoya index | (data not available) Balaban index | 1.577

molar mass | 1728 g/mol phase | liquid (at STP)

predicted LogP hydrophobicity | 0.72 predicted LogS | -2

approval status | approved | investigational | small molecule drug categories | anticoagulant | antithrombotic dosage forms | subcutaneous: solution

brand names | arixtra | fondaparinux | fondaparinux sodium

CAS number | 114870-03-0 PubChem CID number | 636380 PubChem SID number | 7848906 SMILES identifier | [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].COC1OC(COS([O-])(=O)=O)C(OC2OC(C(OC3OC(COS([O-])(=O)=O)C(OC4OC(C(OC5OC(COS([O-])(=O)=O)C(O)C(O)C5NS([O-])(=O)=O)C(O)C4O)C([O-])=O)C(OS([O-])(=O)=O)C3NS([O-])(=O)=O)C(O)C2OS([O-])(=O)=O)C([O-])=O)C(O)C1NS([O-])(=O)=O InChI identifier | 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/fC31H43N3O49S8.10Na/q-10;10m InChI key | XEKSTYNIJLDDAZ-IEJHTQPCDI