N-Acetylneuraminyl-fucosyllacto-N-neo-tetraose from human milk

Name: N-Acetylneuraminyl-fucosyllacto-N-neo-tetraose from human milk
SKU: ACM111216365-1
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PRICE INQUIRY

Catalog NumberACM111216365-1

CAS Number111216-36-5

CategoryPolysaccharide

N-Acetylneuraminyl-fucosyllacto-N-neo-tetraose from human milk

IUPAC Name

(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5,6-dihydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Molecular Weight

1145g/mol

Molecular Formula

C43H72N2O33

Canonical SMILES

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)COC6(CC(C(C(O6)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O)NC(=O)C)O)CO)O)O)O)O)O

InChI

InChI=1S/C43H72N2O33/c1-10-21(54)26(59)28(61)39(69-10)77-36-30(63)37(65)70-17(8-49)33(36)75-41-31(64)35(24(57)15(6-47)71-41)76-38-20(45-12(3)51)25(58)32(16(7-48)72-38)74-40-29(62)27(60)23(56)18(73-40)9-68-43(42(66)67)4-13(52)19(44-11(2)50)34(78-43)22(55)14(53)5-46/h10,13-41,46-49,52-65H,4-9H2,1-3H3,(H,44,50)(H,45,51)(H,66,67)/t10-,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25+,26+,27-,28-,29+,30+,31+,32+,33-,34+,35-,36+,37?,38-,39-,40-,41-,43+/m0/s1

InChI Key

HSYHUIKGLHMONM-RDNIXPOZSA-N

Complexity

1950

Covalently-Bonded Unit Count

Exact Mass

1144.401733g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

1144.401733g/mol

Rotatable Bond Count