Home Sulfos (3R,3aS,6R,6aS)-6-[(4-methylbenzenesulfonyl)oxy]-hexahydrofuro[3,2-b]furan-3-yl 4-methylbenzene-1-sulfonate

(3R,3aS,6R,6aS)-6-[(4-methylbenzenesulfonyl)oxy]-hexahydrofuro[3,2-b]furan-3-yl 4-methylbenzene-1-sulfonate

CAS No.:
67890-26-0
Catalog Number:
AG00PO2H
Molecular Formula:
C20H22O8S2
Molecular Weight:
454.5139
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Product Description
Catalog Number:
AG00PO2H
Chemical Name:
(3R,3aS,6R,6aS)-6-[(4-methylbenzenesulfonyl)oxy]-hexahydrofuro[3,2-b]furan-3-yl 4-methylbenzene-1-sulfonate
CAS Number:
67890-26-0
Molecular Formula:
C20H22O8S2
Molecular Weight:
454.5139
MDL Number:
MFCD25370320
IUPAC Name:
[(3R,3aS,6R,6aS)-6-(4-methylphenyl)sulfonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-methylbenzenesulfonate
InChI:
InChI=1S/C20H22O8S2/c1-13-3-7-15(8-4-13)29(21,22)27-17-11-25-20-18(12-26-19(17)20)28-30(23,24)16-9-5-14(2)6-10-16/h3-10,17-20H,11-12H2,1-2H3/t17-,18-,19-,20-/m1/s1
InChI Key:
LFXDGKWHPSDRCT-UAFMIMERSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
716  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
454.076g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.508g/mol
Monoisotopic Mass:
454.076g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties