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321897-68-1

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Basic Information
CAS No.: 321897-68-1
Name: N-Acetyllactosamine 6,6’-Disulfate Disodium Salt
Molecular Structure:
Molecular Structure of 321897-68-1 (N-Acetyllactosamine 6,6’-Disulfate Disodium Salt)
Formula: C14H23NNa2O17S2
Molecular Weight: 587.4385
Synonyms: 2-(Acetylamino)-2-deoxy-4-O-(6-O-sulfo--D-galactopyranosyl)-D-glucose 6-(Hydrogen Sulfate) Disodium Salt;Gal(6S)-(1-4)-GlcNAc(6S);
PSA: 311.05000
LogP: -3.06740
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    N-Acetyllactosamine 6,6'-disulfate disodium salt

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    FINETECH INDUSTRY LIMITED is a LONDON based CRO company providing drug discovery & development services to worldwide clients. FINETECH INDUSTRY LIMITED supplies the N-Acetyllactosamine 6,6'-Disulfate Disodium Salt, CAS:321897-68-1 with the most compe

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Specification

The N-Acetyllactosamine 6,6'-disulfate disodium salt, with the CAS registry number 321897-68-1, is also known as 2-(Acetylamino)-2-deoxy-4-O-(6-O-sulfo--D-galactopyranosyl)-D-glucose 6-(Hydrogen Sulfate) Disodium Salt. It belongs to the product categories of Carbohydrates & Derivatives; Oligosaccharides; Sulfur & Selenium Compounds. This chemical's molecular formula is C14H23NNa2O17S2 and molecular weight is 587.4385. What's more, its systematic name is called [(3R,4S,5S,6S)-6-[(3S,4R,5S,6R)-5-Acetamido-4,6-dihydroxy-2-(sodiooxysulfonyloxymethyl)tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxysulfonyloxysodium. The N-Acetyllactosamine derivatives were tested as acceptors for a1,3-L-Fucosyltransferase present in human ovarian cancer sera and ovarian tumor.

Physical properties about N-Acetyllactosamine 6,6'-disulfate disodium salt are: (1)#H bond acceptors: 18; (2)#H bond donors: 6; (3)#Freely Rotating Bonds: 18; (4)Polar Surface Area: 279.9 Å2.

You can still convert the following datas into molecular 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)COS(=O)(=O)O[Na])O)O)O)O
(2) InChI: InChI=1/C14H25NO17S2.2Na/c1-4(16)15-7-9(18)12(6(30-13(7)21)3-29-34(25,26)27)32-14-11(20)10(19)8(17)5(31-14)2-28-33(22,23)24;;/h5-14,17-21H,2-3H2,1H3,(H,15,16)(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/t5?,6?,7-,8-,9+,10-,11-,12+,13+,14-;;/m0../s1/rC14H23NNa2O17S2/c1-4(18)15-7-9(20)12(6(30-13(7)23)3-29-36(26,27)34-17)32-14-11(22)10(21)8(19)5(31-14)2-28-35(24,25)33-16/h5-14,19-23H,2-3H2,1H3,(H,15,18)/t5?,6?,7-,8-,9+,10-,11-,12+,13+,14-/m0/s1
(3) InChIKey: WNRBKGCBRFNJMG-NTWRLKRFBQ