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145447-78-5

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Basic Information
CAS No.: 145447-78-5
Name: N-Acetyllactosamine 6-Sulfate Sodium Salt
Molecular Structure:
Molecular Structure of 145447-78-5 (N-Acetyllactosamine 6-Sulfate Sodium Salt)
Formula: C14H24NNaO14S
Molecular Weight: 485.39343
Synonyms: D-Glucose,2-(acetylamino)-2-deoxy-4-O-b-D-galactopyranosyl-, 6-(hydrogen sulfate), monosodium salt (9CI);
Melting Point: 181-182°C
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Specification

The N-Acetyllactosamine 6-sulfate sodium salt is an organic compound with the formula C14H24NNaO14S. The systematic name of this chemical is [(3S,4R,5S,6R)-5-acetamido-4,6-dihydroxy-3-[(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxysulfonyloxysodium. With the CAS registry number 145447-78-5, it is also named as D-Glucose,2-(acetylamino)-2-deoxy-4-O-β-D-galactopyranosyl-, 6-(hydrogen sulfate), sodium salt (1:1). The product's categories are Carbohydrates & Derivatives; Oligosaccharides; Sulfur & Selenium Compounds. N-Acetyllactosamine derivatives were tested as acceptors for a1,3-L-Fucosyltransferase present in human ovarian cancer sera and ovarian tumor

The other characteristics of N-Acetyllactosamine 6-sulfate sodium salt can be summarized as: (1)#H bond acceptors: 15; (2)#H bond donors: 7; (3)#Freely Rotating Bonds: 15; (4)Polar Surface Area: 239.15 Å2.

People can use the following data to convert to the molecule structure. 
1. SMILES:CC(=O)N[C@H]1[C@H]([C@@H](C(O[C@H]1O)COS(=O)(=O)O[Na])O[C@H]2[C@H]([C@H]([C@H](C(O2)CO)O)O)O)O
2. InChI:InChI=1/C14H25NO14S.Na/c1-4(17)15-7-9(19)12(6(27-13(7)22)3-26-30(23,24)25)29-14-11(21)10(20)8(18)5(2-16)28-14;/h5-14,16,18-22H,2-3H2,1H3,(H,15,17)(H,23,24,25);/q;+1/p-1/t5?,6?,7-,8-,9+,10-,11-,12+,13+,14-;/m0./s1/rC14H24NNaO14S/c1-4(18)15-7-9(20)12(6(27-13(7)23)3-26-31(24,25)30-16)29-14-11(22)10(21)8(19)5(2-17)28-14/h5-14,17,19-23H,2-3H2,1H3,(H,15,18)/t5?,6?,7-,8-,9+,10-,11-,12+,13+,14-/m0/s1
3. InChIKey:HYBYWGBGWQCPKW-CWAZRXJNBR