Name: Name:B-PABA
Brand: Angene
SKU: AG00FGQU
Rating: 90 (10 reviews)

B-PABA

CAS No.:

6929-40-4

Catalog Number:

AG00FGQU

Molecular Formula:

Molecular Weight:

Catalog Number:

AG00FGQU

Chemical Name:

B-PABA

CAS Number:

6929-40-4

MDL Number:

MFCD22125210

IUPAC Name:

4-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]benzoic acid

InChI:

InChI=1S/C17H21N3O4S/c21-14(18-11-7-5-10(6-8-11)16(22)23)4-2-1-3-13-15-12(9-25-13)19-17(24)20-15/h5-8,12-13,15H,1-4,9H2,(H,18,21)(H,22,23)(H2,19,20,24)/t12-,13-,15-/m0/s1

InChI Key:

PVMDAMXGKHIMSQ-YDHLFZDLSA-N

Complexity:

522

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

363.125g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

363.432g/mol

Monoisotopic Mass:

363.125g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

133A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2