Home Sulfos α-D-Xylofuranose, 1,2-O-(1-methylethylidene)-, 5-(4-methylbenzenesulfonate)

α-D-Xylofuranose, 1,2-O-(1-methylethylidene)-, 5-(4-methylbenzenesulfonate)

CAS No.:
20513-95-5
Catalog Number:
AG0029WE
Molecular Formula:
C15H20O7S
Molecular Weight:
344.3801
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Product Description
Catalog Number:
AG0029WE
Chemical Name:
α-D-Xylofuranose, 1,2-O-(1-methylethylidene)-, 5-(4-methylbenzenesulfonate)
CAS Number:
20513-95-5
Molecular Formula:
C15H20O7S
Molecular Weight:
344.3801
MDL Number:
MFCD00056902
IUPAC Name:
[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C15H20O7S/c1-9-4-6-10(7-5-9)23(17,18)19-8-11-12(16)13-14(20-11)22-15(2,3)21-13/h4-7,11-14,16H,8H2,1-3H3/t11-,12+,13-,14-/m1/s1
InChI Key:
RMWKMMUSFZVFMX-XJFOESAGSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OC[C@H]1O[C@H]2[C@@H]([C@H]1O)OC(O2)(C)C
Properties
Complexity:
518  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
344.093g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
344.378g/mol
Monoisotopic Mass:
344.093g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties