Name: Name:salicylacyl glucuronide
Brand: Angene
SKU: AG00C2Q3
Rating: 90 (10 reviews)

salicylacyl glucuronide

CAS No.:

29315-53-5

Catalog Number:

AG00C2Q3

Molecular Formula:

Molecular Weight:

Catalog Number:

AG00C2Q3

Chemical Name:

salicylacyl glucuronide

CAS Number:

29315-53-5

MDL Number:

MFCD00870098

IUPAC Name:

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxybenzoyl)oxyoxane-2-carboxylic acid

InChI:

InChI=1S/C13H14O9/c14-6-4-2-1-3-5(6)12(20)22-13-9(17)7(15)8(16)10(21-13)11(18)19/h1-4,7-10,13-17H,(H,18,19)/t7-,8-,9+,10-,13-/m0/s1

InChI Key:

IXVVXKRKCLJCKA-UNLLLRGISA-N

Complexity:

426

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

314.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

314.246g/mol

Monoisotopic Mass:

314.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

154A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1