Name: Name:3-Ursodeoxycholic Acid-d5
Brand: Angene
SKU: AG00DF5C
Rating: 90 (10 reviews)

3-Ursodeoxycholic Acid-d5

CAS No.:

52840-12-7

Catalog Number:

AG00DF5C

Molecular Formula:

Molecular Weight:

Catalog Number:

AG00DF5C

Chemical Name:

3-Ursodeoxycholic Acid-d5

CAS Number:

52840-12-7

MDL Number:

MFCD08702893

IUPAC Name:

(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7-dihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

InChI:

InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1/i8D2,12D2,16D

InChI Key:

RUDATBOHQWOJDD-FVAYXOGXSA-N

Complexity:

605

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

397.324g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

397.611g/mol

Monoisotopic Mass:

397.324g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.9