Name: Name:1,2-Propanediol, 3-(phenylmethoxy)-, 1-(4-methylbenzenesulfonate), (2R)-
Brand: Angene
SKU: AG002MJ5
Rating: 90 (10 reviews)

1,2-Propanediol, 3-(phenylmethoxy)-, 1-(4-methylbenzenesulfonate), (2R)-

CAS No.:

23214-66-6

Catalog Number:

AG002MJ5

Molecular Formula:

C17H20O5S

Molecular Weight:

336.4027

Catalog Number:

AG002MJ5

Chemical Name:

1,2-Propanediol, 3-(phenylmethoxy)-, 1-(4-methylbenzenesulfonate), (2R)-

CAS Number:

23214-66-6

Molecular Formula:

C17H20O5S

Molecular Weight:

336.4027

MDL Number:

MFCD00134285

IUPAC Name:

[(2R)-2-hydroxy-3-phenylmethoxypropyl] 4-methylbenzenesulfonate

InChI:

InChI=1S/C17H20O5S/c1-14-7-9-17(10-8-14)23(19,20)22-13-16(18)12-21-11-15-5-3-2-4-6-15/h2-10,16,18H,11-13H2,1H3/t16-/m1/s1

InChI Key:

HBMUWOSOGHUWSS-MRXNPFEDSA-N

SMILES:

O[C@@H](COS(=O)(=O)c1ccc(cc1)C)COCc1ccccc1

Complexity:

417

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

336.103g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

336.402g/mol

Monoisotopic Mass:

336.103g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3