octasodium (2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R)-5-acetamido-2-(hydroxymethyl)-6-oxidanyl-3-sulfooxy-oxan-4-yl]oxy-2-carboxy-4-oxidanyl-5-sulfooxy-oxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxy-oxan-4-yl]oxy-2-carboxy-4-oxidanyl-5-sulfooxy-oxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxy-oxan-4-yl]oxy-3,4-bis(oxidanyl)-5-sulfooxy-oxane-2-carboxylic acid

Systemtic Name: octasodium (2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R)-5-acetamido-2-(hydroxymethyl)-6-oxidanyl-3-sulfooxy-oxan-4-yl]oxy-2-carboxy-4-oxidanyl-5-sulfooxy-oxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxy-oxan-4-yl]oxy-2-carboxy-4-oxidanyl-5-sulfooxy-oxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxy-oxan-4-yl]oxy-3,4-bis(oxidanyl)-5-sulfooxy-oxane-2-carboxylic acid Openeye Name: octasodium (2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxy-tetrahydropyran-4-yl]oxy-2-carboxy-4-hydroxy-5-sulfooxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxy-tetrahydropyran-4-yl]oxy-2-carboxy-4-hydroxy-5-sulfooxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxy-tetrahydropyran-4-yl]oxy-3,4-dihydroxy-5-sulfooxy-tetrahydropyran-2-carboxylic acid CAS Name: octasodium (2R,3S,4S,5R,6R)-6-[[(3R,4R,5R,6R)-3-acetamido-2-[[(2R,3S,4S,5R,6R)-6-[[(3R,4R,5R,6R)-3-acetamido-2-[[(2R,3S,4S,5R,6R)-6-[[(3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxy-4-oxanyl]oxy]-2-carboxy-4-hydroxy-5-sulfooxy-3-oxanyl]oxy]-6-(hydroxymethyl)-5-sulfooxy-4-oxanyl]oxy]-2-carboxy-4-hydroxy-5-sulfooxy-3-oxanyl]oxy]-6-(hydroxymethyl)-5-sulfooxy-4-oxanyl]oxy]-3,4-dihydroxy-5-sulfooxy-2-oxanecarboxylic acid IUPAC Name: octasodium (2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-2-carboxy-4-hydroxy-5-sulfooxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-2-carboxy-4-hydroxy-5-sulfooxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid Traditional Name: octasodium (2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-methylol-5-sulfoxy-tetrahydropyran-4-yl]oxy-2-carboxy-4-hydroxy-5-sulfoxy-tetrahydropyran-3-yl]oxy-6-methylol-5-sulfoxy-tetrahydropyran-4-yl]oxy-2-carboxy-4-hydroxy-5-sulfoxy-tetrahydropyran-3-yl]oxy-6-methylol-5-sulfoxy-tetrahydropyran-4-yl]oxy-3,4-dihydroxy-5-sulfoxy-tetrahydropyran-2-carboxylic acid Formula: C42H65N3Na8O52S6+8 MolecularWeight: 1820.26256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1O)CO)OS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OS(=O)(=O)O)OC4C(C(C(C(O4)C(=O)O)OC5C(C(C(C(O5)CO)OS(=O)(=O)O)OC6C(C(C(C(O6)C(=O)O)O)O)OS(=O)(=O)O)NC(=O)C)O)OS(=O)(=O)O)NC(=O)C)O)OS(=O)(=O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)OS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)OC3[C@@H]([C@H]([C@H]([C@H](O3)CO)OS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)C(=O)O)OC5[C@@H]([C@H]([C@H]([C@H](O5)CO)OS(=O)(=O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@@H](O6)C(=O)O)O)O)OS(=O)(=O)O)NC(=O)C)O)OS(=O)(=O)O)NC(=O)C)O)OS(=O)(=O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C42H65N3O52S6.8Na/c1-7(49)43-13-23(20(92-98(63,64)65)10(4-46)81-37(13)62)84-41-30(96-102(75,76)77)18(54)26(32(90-41)35(58)59)87-39-15(45-9(3)51)25(22(12(6-48)83-39)94-100(69,70)71)86-42-31(97-103(78,79)80)19(55)27(33(91-42)36(60)61)88-38-14(44-8(2)50)24(21(11(5-47)82-38)93-99(66,67)68)85-40-29(95-101(72,73)74)17(53)16(52)28(89-40)34(56)57;;;;;;;;/h10-33,37-42,46-48,52-55,62H,4-6H2,1-3H3,(H,43,49)(H,44,50)(H,45,51)(H,56,57)(H,58,59)(H,60,61)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80);;;;;;;;/q;8*+1/t10-,11-,12-,13-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23-,24-,25-,26+,27+,28-,29-,30-,31-,32-,33-,37?,38?,39?,40-,41-,42-;;;;;;;;/m1......../s1