Name: Name:3-Methylflavone-8-carboxylic Acid Acyl--D-glucuronide
Brand: Angene
SKU: AG00EFEJ
Rating: 90 (10 reviews)

3-Methylflavone-8-carboxylic Acid Acyl--D-glucuronide

CAS No.:

60218-13-5

Catalog Number:

AG00EFEJ

Molecular Formula:

Molecular Weight:

Catalog Number:

AG00EFEJ

Chemical Name:

3-Methylflavone-8-carboxylic Acid Acyl--D-glucuronide

CAS Number:

60218-13-5

MDL Number:

MFCD11978019

IUPAC Name:

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyoxane-2-carboxylic acid

InChI:

InChI=1S/C23H20O10/c1-10-14(24)12-8-5-9-13(19(12)31-18(10)11-6-3-2-4-7-11)22(30)33-23-17(27)15(25)16(26)20(32-23)21(28)29/h2-9,15-17,20,23,25-27H,1H3,(H,28,29)/t15-,16-,17+,20-,23-/m0/s1

InChI Key:

QTFLEEJQZRBOAR-ZFMFMYKPSA-N

Complexity:

816

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

456.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

456.403g/mol

Monoisotopic Mass:

456.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

160A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5