Mrv1652305171808222D 91 95 0 0 1 0 999 V2000 7.9799 -26.2810 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9799 -27.1060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2654 -25.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2654 -27.5185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5509 -26.2810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5509 -27.1060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6944 -25.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6944 -27.5185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2654 -28.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8365 -27.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8365 -25.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1220 -26.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8379 -24.6309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8379 -25.4559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1233 -24.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -25.8684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4089 -24.6309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4089 -25.4559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5523 -24.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5523 -25.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -26.6935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6944 -24.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9799 -24.6309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6958 -22.9809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6958 -23.8059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9813 -22.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9813 -24.2184 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2668 -22.9809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2668 -23.8059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4103 -22.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4103 -24.2184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9813 -25.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5523 -22.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8379 -22.9809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5537 -21.3309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5537 -22.1559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8392 -20.9184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8392 -22.5684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1247 -21.3309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1247 -22.1559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2682 -20.9184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2682 -22.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8391 -23.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4103 -20.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6958 -21.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4116 -19.6809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4116 -20.5059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6971 -19.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6971 -20.9184 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9827 -19.6809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9827 -20.5059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1261 -19.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1261 -20.9184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6971 -21.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2682 -19.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5537 -19.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8406 -19.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4075 -25.8684 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9950 -26.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8200 -25.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6931 -25.4559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6944 -28.3435 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5194 -28.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0483 -28.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6944 -29.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1234 -22.5684 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7109 -23.2829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5359 -21.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4089 -22.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4103 -25.0434 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.2353 -25.0434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7045 -25.0434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4102 -25.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8392 -19.2684 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.4267 -19.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2517 -18.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1247 -18.8559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1261 -21.7434 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.9511 -21.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4303 -21.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1261 -22.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2681 -23.3934 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.0932 -23.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6320 -23.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2681 -24.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6944 -23.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4103 -20.0934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 -26.1617 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2459 -26.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8065 -26.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 -26.9767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 1 7 1 6 0 0 0 2 8 1 6 0 0 0 4 9 1 1 0 0 0 6 10 1 6 0 0 0 5 11 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 13 19 1 1 0 0 0 14 20 1 6 0 0 0 16 21 1 1 0 0 0 18 7 1 6 0 0 0 17 22 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 29 1 0 0 0 0 24 30 1 6 0 0 0 25 31 1 6 0 0 0 27 32 1 1 0 0 0 29 19 1 6 0 0 0 28 33 1 1 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 39 40 1 0 0 0 0 35 41 1 1 0 0 0 36 42 1 6 0 0 0 38 43 1 1 0 0 0 40 30 1 6 0 0 0 39 44 1 6 0 0 0 45 44 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 50 51 1 0 0 0 0 46 52 1 6 0 0 0 47 53 1 6 0 0 0 49 54 1 1 0 0 0 51 41 1 6 0 0 0 50 55 1 1 0 0 0 56 55 1 0 0 0 0 52 57 1 0 0 0 0 59 58 2 0 0 0 0 60 58 2 0 0 0 0 61 58 1 0 0 0 0 12 58 1 0 0 0 0 63 62 2 0 0 0 0 64 62 2 0 0 0 0 65 62 1 0 0 0 0 8 62 1 0 0 0 0 67 66 2 0 0 0 0 68 66 2 0 0 0 0 69 66 1 0 0 0 0 34 66 1 0 0 0 0 71 70 2 0 0 0 0 72 70 2 0 0 0 0 73 70 1 0 0 0 0 31 70 1 0 0 0 0 75 74 2 0 0 0 0 76 74 2 0 0 0 0 77 74 1 0 0 0 0 56 74 1 0 0 0 0 79 78 2 0 0 0 0 80 78 2 0 0 0 0 81 78 1 0 0 0 0 53 78 1 0 0 0 0 83 82 2 0 0 0 0 84 82 2 0 0 0 0 85 82 1 0 0 0 0 42 82 1 0 0 0 0 22 86 2 0 0 0 0 44 87 2 0 0 0 0 32 88 1 0 0 0 0 88 89 2 0 0 0 0 88 90 2 0 0 0 0 88 91 1 0 0 0 0 M END > CHEM022138 > chemdb > CO[C@H]1O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]5NS(O)(=O)=O)[C@H](O)[C@H]4O)C(O)=O)[C@H](OS(O)(=O)=O)[C@H]3NS(O)(=O)=O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@H](O)[C@H]1NS(O)(=O)=O > InChI=1S/C31H53N3O49S8/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)/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 > KANJSNBRCNMZMV-ABRZTLGGSA-N > C31H53N3O49S8 > 1508.263 > 1506.951330709 > 44 > 144 > 122.98522092860753 > 0 > 19 > 0 > 0 > (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-[(sulfooxy)methyl]oxan-3-yl]oxy}-5-(sulfooxy)oxan-3-yl]oxy}-5-(sulfoamino)-4-(sulfooxy)-2-[(sulfooxy)methyl]oxan-3-yl]oxy}-3-{[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-[(sulfooxy)methyl]oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid > -1.58 > -10.479801889 > -2.28 > 1 > 5 > -10 > -2.570233228629043 > -2.9501637229060833 > 805.4800000000007 > 255.84640000000016 > 27 > 0 > 7.91e+00 g/l > (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-[(sulfooxy)methyl]oxan-3-yl]oxy}-5-(sulfooxy)oxan-3-yl]oxy}-5-(sulfoamino)-4-(sulfooxy)-2-[(sulfooxy)methyl]oxan-3-yl]oxy}-3-{[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-[(sulfooxy)methyl]oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid > 0 > Fondaparinux sodium > 114870-03-0 $$$$