Name: Name:1,3-Oxathiolane-2-carboxylic acid, 5-(acetyloxy)-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5R)-
Brand: Angene
SKU: AG001EJG
Rating: 90 (10 reviews)

1,3-Oxathiolane-2-carboxylic acid, 5-(acetyloxy)-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5R)-

CAS No.:

147027-09-6

Catalog Number:

AG001EJG

Molecular Formula:

C16H26O5S

Molecular Weight:

330.4396

Catalog Number:

AG001EJG

Chemical Name:

1,3-Oxathiolane-2-carboxylic acid, 5-(acetyloxy)-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5R)-

CAS Number:

147027-09-6

Molecular Formula:

C16H26O5S

Molecular Weight:

330.4396

MDL Number:

MFCD12031461

IUPAC Name:

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate

InChI:

InChI=1S/C16H26O5S/c1-9(2)12-6-5-10(3)7-13(12)20-15(18)16-21-14(8-22-16)19-11(4)17/h9-10,12-14,16H,5-8H2,1-4H3/t10-,12+,13-,14-,16-/m1/s1

InChI Key:

JYUPOLQFLIRYEQ-PBEGBBSFSA-N

SMILES:

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]1SC[C@@H](O1)OC(=O)C)C(C)C

Complexity:

411

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

330.15g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

330.439g/mol

Monoisotopic Mass:

330.15g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1