Name: Name:(3,3-Dimethoxy-1-([(4-methylbenzenesulfonyl)oxy]methyl)cyclobutyl)methyl 4-methylbenzene-1-sulfonate
Brand: Angene
SKU: AG0007B0
Rating: 90 (10 reviews)

(3,3-Dimethoxy-1-([(4-methylbenzenesulfonyl)oxy]methyl)cyclobutyl)methyl 4-methylbenzene-1-sulfonate

CAS No.:

1023815-74-8

Catalog Number:

AG0007B0

Molecular Formula:

C22H28O8S2

Molecular Weight:

484.5829

Catalog Number:

AG0007B0

Chemical Name:

(3,3-Dimethoxy-1-([(4-methylbenzenesulfonyl)oxy]methyl)cyclobutyl)methyl 4-methylbenzene-1-sulfonate

CAS Number:

1023815-74-8

Molecular Formula:

C22H28O8S2

Molecular Weight:

484.5829

MDL Number:

MFCD09881300

IUPAC Name:

[3,3-dimethoxy-1-[(4-methylphenyl)sulfonyloxymethyl]cyclobutyl]methyl 4-methylbenzenesulfonate

InChI:

InChI=1S/C22H28O8S2/c1-17-5-9-19(10-6-17)31(23,24)29-15-21(13-22(14-21,27-3)28-4)16-30-32(25,26)20-11-7-18(2)8-12-20/h5-12H,13-16H2,1-4H3

InChI Key:

QFXYVIUEQYBCKC-UHFFFAOYSA-N

SMILES:

COC1(OC)CC(C1)(COS(=O)(=O)c1ccc(cc1)C)COS(=O)(=O)c1ccc(cc1)C

Complexity:

741

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

484.123g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

484.578g/mol

Monoisotopic Mass:

484.123g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

122A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2