Current position:Home >Product >

undecasodium 4-butanoyloxy-3-[4-butanoyloxy-5-[4-butanoyloxy-5-[4-butanoyloxy-5-oxidanyl-3-(sulfonatoamino)-6-(sulfonatomethyl)oxan-2-yl]oxy-6-carboxylato-3-sulfonatooxy-oxan-2-yl]oxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[4-butanoyloxy-6-[(E)-1-butanoyloxy-4-oxidanidyl-4-oxidanylidene-but-2-en-2-yl]oxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxy-oxane-2-carboxylate

Systemtic Name:	undecasodium 4-butanoyloxy-3-[4-butanoyloxy-5-[4-butanoyloxy-5-[4-butanoyloxy-5-oxidanyl-3-(sulfonatoamino)-6-(sulfonatomethyl)oxan-2-yl]oxy-6-carboxylato-3-sulfonatooxy-oxan-2-yl]oxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[4-butanoyloxy-6-[(E)-1-butanoyloxy-4-oxidanidyl-4-oxidanylidene-but-2-en-2-yl]oxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxy-oxane-2-carboxylate
Openeye Name:	undecasodium 4-butanoyloxy-3-[4-butanoyloxy-5-[4-butanoyloxy-5-[4-butanoyloxy-5-hydroxy-3-(sulfonatoamino)-6-(sulfonatomethyl)tetrahydropyran-2-yl]oxy-6-carboxylato-3-sulfonatooxy-tetrahydropyran-2-yl]oxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxy-6-[4-butanoyloxy-6-[(E)-1-(butanoyloxymethyl)-3-oxido-3-oxo-prop-1-enoxy]-5-(sulfonatoamino)-2-(sulfonatooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfonatooxy-tetrahydropyran-2-carboxylate
CAS Name:	undecasodium 3-[[5-[[6-carboxylato-5-[[5-hydroxy-4-(1-oxobutoxy)-3-(sulfonatoamino)-6-(sulfonatomethyl)-2-oxanyl]oxy]-4-(1-oxobutoxy)-3-sulfonatooxy-2-oxanyl]oxy]-4-(1-oxobutoxy)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)-2-oxanyl]oxy]-6-[[6-[(E)-4-oxido-4-oxo-1-(1-oxobutoxy)but-2-en-2-yl]oxy-4-(1-oxobutoxy)-5-(sulfonatoamino)-2-(sulfonatooxymethyl)-3-oxanyl]oxy]-4-(1-oxobutoxy)-5-sulfonatooxy-2-oxanecarboxylate
IUPAC Name:	undecasodium 4-butanoyloxy-3-[4-butanoyloxy-5-[4-butanoyloxy-5-[4-butanoyloxy-5-hydroxy-3-(sulfonatoamino)-6-(sulfonatomethyl)oxan-2-yl]oxy-6-carboxylato-3-sulfonatooxyoxan-2-yl]oxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[4-butanoyloxy-6-[(E)-1-butanoyloxy-4-oxido-4-oxobut-2-en-2-yl]oxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxane-2-carboxylate
Traditional Name:	undecasodium 4-butyryloxy-3-[4-butyryloxy-5-[4-butyryloxy-5-[4-butyryloxy-5-hydroxy-3-(sulfonatoamino)-6-(sulfonatomethyl)tetrahydropyran-2-yl]oxy-6-carboxylato-3-sulfato-tetrahydropyran-2-yl]oxy-6-(sulfatomethyl)-3-(sulfonatoamino)tetrahydropyran-2-yl]oxy-6-[4-butyryloxy-6-[(E)-1-(butyryloxymethyl)-3-keto-3-oxido-prop-1-enoxy]-2-(sulfatomethyl)-5-(sulfonatoamino)tetrahydropyran-3-yl]oxy-5-sulfato-tetrahydropyran-2-carboxylate
Formula:	C₅₈H₈₀N₃Na₁₁O₅₇S₈
MolecularWeight:	2240.64917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(=CC(=O)[O-])OC1C(C(C(C(O1)COS(=O)(=O)[O-])OC2C(C(C(C(O2)C(=O)[O-])OC3C(C(C(C(O3)COS(=O)(=O)[O-])OC4C(C(C(C(O4)C(=O)[O-])OC5C(C(C(C(O5)CS(=O)(=O)[O-])O)OC(=O)CCC)NS(=O)(=O)[O-])OC(=O)CCC)OS(=O)(=O)[O-])OC(=O)CCC)NS(=O)(=O)[O-])OC(=O)CCC)OS(=O)(=O)[O-])OC(=O)CCC)NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCC(=O)OC/C(=C\C(=O)[O-])/OC1C(C(C(C(O1)COS(=O)(=O)[O-])OC2C(C(C(C(O2)C(=O)[O-])OC3C(C(C(C(O3)COS(=O)(=O)[O-])OC4C(C(C(C(O4)C(=O)[O-])OC5C(C(C(C(O5)CS(=O)(=O)[O-])O)OC(=O)CCC)NS(=O)(=O)[O-])OC(=O)CCC)OS(=O)(=O)[O-])OC(=O)CCC)NS(=O)(=O)[O-])OC(=O)CCC)OS(=O)(=O)[O-])OC(=O)CCC)NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C58H91N3O57S8.11Na/c1-7-13-29(64)99-20-24(19-28(62)63)102-54-36(60-121(81,82)83)42(107-31(66)15-9-3)39(25(103-54)21-100-123(87,88)89)111-57-51(118-126(96,97)98)47(110-34(69)18-12-6)45(49(116-57)53(73)74)114-56-37(61-122(84,85)86)43(108-32(67)16-10-4)40(26(104-56)22-101-124(90,91)92)112-58-50(117-125(93,94)95)46(109-33(68)17-11-5)44(48(115-58)52(71)72)113-55-35(59-120(78,79)80)41(106-30(65)14-8-2)38(70)27(105-55)23-119(75,76)77;;;;;;;;;;;/h19,25-27,35-51,54-61,70H,7-18,20-23H2,1-6H3,(H,62,63)(H,71,72)(H,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98);;;;;;;;;;;/q;11*+1/p-11/b24-19+;;;;;;;;;;;

Other Product