Name: Name:β-D-Glucopyranosiduronic acid, 4-aminophenyl, methyl ester, 2,3,4-triacetate
Brand: Angene
SKU: AG002QYU
Rating: 90 (10 reviews)

β-D-Glucopyranosiduronic acid, 4-aminophenyl, methyl ester, 2,3,4-triacetate

CAS No.:

25218-22-8

Catalog Number:

AG002QYU

Molecular Formula:

C19H23NO10

Molecular Weight:

425.3866

Catalog Number:

AG002QYU

Chemical Name:

β-D-Glucopyranosiduronic acid, 4-aminophenyl, methyl ester, 2,3,4-triacetate

CAS Number:

25218-22-8

Molecular Formula:

C19H23NO10

Molecular Weight:

425.3866

MDL Number:

MFCD02094196

IUPAC Name:

methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-aminophenoxy)oxane-2-carboxylate

InChI:

InChI=1S/C19H23NO10/c1-9(21)26-14-15(27-10(2)22)17(28-11(3)23)19(30-16(14)18(24)25-4)29-13-7-5-12(20)6-8-13/h5-8,14-17,19H,20H2,1-4H3/t14-,15-,16-,17+,19+/m0/s1

InChI Key:

IGHOHCWHGMRAMB-YTGMWSOZSA-N

SMILES:

COC(=O)[C@H]1O[C@@H](Oc2ccc(cc2)N)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

Complexity:

645

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

425.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

425.39g/mol

Monoisotopic Mass:

425.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

150A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8