Home Other Building Blocks (3R,3AS,6S,6AR)-6-HYDROXYHEXAHYDROFURO[3,2-B]FURAN-3-YL 4-METHYLBENZENESULFONATE

(3R,3AS,6S,6AR)-6-HYDROXYHEXAHYDROFURO[3,2-B]FURAN-3-YL 4-METHYLBENZENESULFONATE

CAS No.:
101222-62-2
Catalog Number:
AG01DL7Z
Molecular Formula:
C13H16O6S
Molecular Weight:
300.3275
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Product Description
Catalog Number:
AG01DL7Z
Chemical Name:
(3R,3AS,6S,6AR)-6-HYDROXYHEXAHYDROFURO[3,2-B]FURAN-3-YL 4-METHYLBENZENESULFONATE
CAS Number:
101222-62-2
Molecular Formula:
C13H16O6S
Molecular Weight:
300.3275
MDL Number:
MFCD31803048
IUPAC Name:
[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-methylbenzenesulfonate
InChI:
InChI=1S/C13H16O6S/c1-8-2-4-9(5-3-8)20(15,16)19-11-7-18-12-10(14)6-17-13(11)12/h2-5,10-14H,6-7H2,1H3/t10-,11+,12+,13+/m0/s1
InChI Key:
FGJZRMSVFCYGGE-UMSGYPCISA-N
SMILES:
O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
436  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
300.067g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
300.325g/mol
Monoisotopic Mass:
300.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties