18409-15-9 , Di-(N-acetylneuramin)lactose , GD3-Oligosaccharide

18409-15-9 , Di-(N-acetylneuramin)lactose ,
GD3-Oligosaccharide
Cas:18409-15-9
C34H56N2O27 / 924.8

Di-(N-acetylneuramin)lactose , GD3-Oligosaccharide

CAS Number	18409-15-9
Product Name	5-Acetamido-6-[2-[5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid
IUPAC Name	5-acetamido-6-[2-[5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid
Molecular Formula	C34H56N2O27
Molecular Weight	924.8 g/mol
InChI	InChI=1S/C34H56N2O27/c1-9(41)35-17-11(43)3-33(31(53)54,61-26(17)19(46)13(45)5-37)60-15(7-39)21(48)27-18(36-10(2)42)12(44)4-34(62-27,32(55)56)63-28-20(47)14(6-38)58-30(24(28)51)59-25-16(8-40)57-29(52)23(50)22(25)49/h11-30,37-40,43-52H,3-8H2,1-2H3,(H,35,41)(H,36,42)(H,53,54)(H,55,56)
InChI Key	IESOVNOGVZBLMG-UHFFFAOYSA-N
SMILES	CC(=O)NC1C(CC(OC1C(C(CO)OC2(CC(C(C(O2)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)(C(=O)O)OC3C(C(OC(C3O)OC4C(OC(C(C4O)O)O)CO)CO)O)O
Synonyms	alphaNeu5Ac(2,8)alphaNeu5Ac(2,3)betaDGal(1,4)DGlc, di-(N-acetylneuramin)lactose, disialyl lactose, disialyllactose
Canonical SMILES	CC(=O)NC1C(CC(OC1C(C(CO)OC2(CC(C(C(O2)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)(C(=O)O)OC3C(C(OC(C3O)OC4C(OC(C(C4O)O)O)CO)CO)O)O