Cas no 115236-57-2 (D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®3)-O-[b-D-galactopyranosyl-(1®4)]-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®3)-O-[O-6-deoxy-a-L-galactopyranosyl-(1®3)-O-[b-D-galactopyranosyl-(1®4)]-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®6)]-O-b-D-galactopyranosyl-(1®4)-)
115236-57-2 structure
Product Name:D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®3)-O-[b-D-galactopyranosyl-(1®4)]-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®3)-O-[O-6-deoxy-a-L-galactopyranosyl-(1®3)-O-[b-D-galactopyranosyl-(1®4)]-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®6)]-O-b-D-galactopyranosyl-(1®4)-
CAS No:115236-57-2
MF:C52H88N2O39
MW:1365.24514102936
CID:130695
Update Time:2022-07-25
D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®3)-O-[b-D-galactopyranosyl-(1®4)]-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®3)-O-[O-6-deoxy-a-L-galactopyranosyl-(1®3)-O-[b-D-galactopyranosyl-(1®4)]-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®6)]-O-b-D-galactopyranosyl-(1®4)- Chemical and Physical Properties
Names and Identifiers
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- DFLNNH
- 4)]-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®
- 4)]-O-2-(acetylamino)-2-deoxy-b-D-glucopyr
- 4)]-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®
- 6)]-O-b-D-galactopyranosyl-(1®
- Difucosyllactohexaose
- DIFUCOSYLLACTO-N-NEO-HEXAOSE
- difucosyllacto-n-neo-hexaose from human milk
- [LEX]2LAC
- (Lex)2Lac, DFLNnH
- D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®3)-O-[b-D-galactopyranosyl-(1®4)]-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®3)-O-[O-6-deoxy-a-L-galactopyranosyl-(1®3)-O-[b-D-galactopyranosyl-(1®4)]-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®6)]-O-b-D-galactopyranosyl-(1®4)-
-
- Inchi: 1S/C52H88N2O39/c1-12-25(65)33(73)35(75)48(81-12)92-43-28(68)18(7-57)83-50(37(43)77)89-41-20(9-59)85-46(23(31(41)71)53-14(3)61)80-11-22-30(70)45(39(79)52(87-22)88-40(17(64)6-56)27(67)16(63)5-55)91-47-24(54-15(4)62)32(72)42(21(10-60)86-47)90-51-38(78)44(29(69)19(8-58)84-51)93-49-36(76)34(74)26(66)13(2)82-49/h5,12-13,16-52,56-60,63-79H,6-11H2,1-4H3,(H,53,61)(H,54,62)/t12-,13-,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+,42+,43-,44-,45-,46+,47+,48-,49-,50-,51-,52-/m0/s1
- InChI Key: SQXMQYFYWOWELN-CZDDXOQPSA-N
- SMILES: [C@@H]1(O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@H]2O)CO)[C@H](O)[C@H]1NC(=O)C)CO)O[C@@H]1[C@@H](O)[C@@H](O[C@H](CO[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)[C@H]3O)CO)[C@H](O)[C@H]2NC(=O)C)CO)[C@@H]1O)O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O
Computed Properties
- Exact Mass: 1364.50000
Experimental Properties
- PSA: 649.55000
- LogP: -15.48480
D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®3)-O-[b-D-galactopyranosyl-(1®4)]-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®3)-O-[O-6-deoxy-a-L-galactopyranosyl-(1®3)-O-[b-D-galactopyranosyl-(1®4)]-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®6)]-O-b-D-galactopyranosyl-(1®4)- Security Information
- WGK Germany:3
D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®3)-O-[b-D-galactopyranosyl-(1®4)]-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®3)-O-[O-6-deoxy-a-L-galactopyranosyl-(1®3)-O-[b-D-galactopyranosyl-(1®4)]-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®6)]-O-b-D-galactopyranosyl-(1®4)- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
115236-57-2 (D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®3)-O-[b-D-galactopyranosyl-(1®4)]-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®3)-O-[O-6-deoxy-a-L-galactopyranosyl-(1®3)-O-[b-D-galactopyranosyl-(1®4)]-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®6)]-O-b-D-galactopyranosyl-(1®4)-) Related Products
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