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hexadecasodium [(2R,3R,4S,5R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-disulfonatooxy-6-(sulfonatooxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-octoxy-3,5-disulfonatooxy-oxan-2-yl]methyl sulfate

Systemtic Name:	hexadecasodium [(2R,3R,4S,5R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-disulfonatooxy-6-(sulfonatooxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-octoxy-3,5-disulfonatooxy-oxan-2-yl]methyl sulfate
Openeye Name:	hexadecasodium [(2R,3R,4S,5R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-disulfonatooxy-6-(sulfonatooxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxy-6-octoxy-3,5-disulfonatooxy-tetrahydropyran-2-yl]methyl sulfate
CAS Name:	hexadecasodium [(2R,3R,4S,5R)-4-[[(2S,3R,4S,5R,6R)-4-[[(2S,3R,4S,5R,6R)-4-[[(2S,3R,4S,5R,6R)-3,5-disulfonatooxy-6-(sulfonatooxymethyl)-4-[[(2S,3R,4S,5R,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-3,5-disulfonatooxy-6-(sulfonatooxymethyl)-2-oxanyl]oxy]-3,5-disulfonatooxy-6-(sulfonatooxymethyl)-2-oxanyl]oxy]-6-octoxy-3,5-disulfonatooxy-2-oxanyl]methyl sulfate
IUPAC Name:	hexadecasodium [(2R,3R,4S,5R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-disulfonatooxy-6-(sulfonatooxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-octoxy-3,5-disulfonatooxyoxan-2-yl]methyl sulfate
Traditional Name:	hexadecasodium [(2R,3R,4S,5R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-disulfato-6-(sulfatomethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trisulfato-6-(sulfatomethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,5-disulfato-6-(sulfatomethyl)tetrahydropyran-2-yl]oxy-3,5-disulfato-6-(sulfatomethyl)tetrahydropyran-2-yl]oxy-6-octoxy-3,5-disulfato-tetrahydropyran-2-yl]methyl sulfate
Formula:	C₃₈H₅₂Na₁₆O₇₄S₁₆
MolecularWeight:	2573.6514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(C(C(O1)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OC2C(C(C(C(O2)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OC3C(C(C(C(O3)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OC4C(C(C(C(O4)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OC5C(C(C(C(O5)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCOC1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)[O-])OS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)[O-])OS(=O)(=O)[O-])O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)[O-])OS(=O)(=O)[O-])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)[O-])OS(=O)(=O)[O-])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C38H68O74S16.16Na/c1-2-3-4-5-6-7-8-87-34-29(108-124(72,73)74)24(19(102-118(54,55)56)14(93-34)9-88-113(39,40)41)98-35-30(109-125(75,76)77)25(20(103-119(57,58)59)15(94-35)10-89-114(42,43)44)99-36-31(110-126(78,79)80)26(21(104-120(60,61)62)16(95-36)11-90-115(45,46)47)100-37-32(111-127(81,82)83)27(22(105-121(63,64)65)17(96-37)12-91-116(48,49)50)101-38-33(112-128(84,85)86)28(107-123(69,70)71)23(106-122(66,67)68)18(97-38)13-92-117(51,52)53;;;;;;;;;;;;;;;;/h14-38H,2-13H2,1H3,(H,39,40,41)(H,42,43,44)(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)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86);;;;;;;;;;;;;;;;/q;16*+1/p-16/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29-,30-,31-,32-,33-,34?,35+,36+,37+,38+;;;;;;;;;;;;;;;;/m1................/s1

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