Glycoursodeoxycholic Acid
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Product Description
Product
Glycoursodeoxycholic Acid
CAS
64480-66-6
Formula
C26H43NO5
Synonym
2-[[(4R)-4-[(3R,5S,7S,10R,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid; 3.a.,7.beta.-Dihydroxy-5.beta.-cholanoylglycine; 3.alpha.,7.beta.-Dihydroxy-5.beta.-cholanoylglycine; Glycylursodeoxycholic acid; N-(3.a.,7.beta.-Dihydroxy-5.beta.-cholan-24-oyl)glycine; N-(3.alpha.,7.beta.-Dihydroxy-5.beta.-cholan-24-oyl)glycine; N-[(3.a.,5.beta.,7.beta.)-3,7-Dihyd; N-[(3.a.,5.beta.,7.beta.)-3,7-dihydroxy-24-oxocholan-24-yl]Glycine
Typical Product Specifications
EINECS
1592732-453-0
SMILES
C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI
GHCZAUBVMUEKKP-XROMFQGDSA-N
InChIKey
1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1
log P (octanol-water)
2.02
Vapor Pressure
8.36E-18 mm Hg
Water solubility
1.35 mg/L
Atmospheric OH Rate Constant
6.42E-11 cm3/molecule-sec
Henry's Law Constant
9.38E-17 atm-m3/mole
Class
Glycoursodeoxycholic Acid
Product Description
Product
Glycoursodeoxycholic Acid
CAS
64480-66-6
Formula
C26H43NO5
Synonym
2-[[(4R)-4-[(3R,5S,7S,10R,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid; 3.a.,7.beta.-Dihydroxy-5.beta.-cholanoylglycine; 3.alpha.,7.beta.-Dihydroxy-5.beta.-cholanoylglycine; Glycylursodeoxycholic acid; N-(3.a.,7.beta.-Dihydroxy-5.beta.-cholan-24-oyl)glycine; N-(3.alpha.,7.beta.-Dihydroxy-5.beta.-cholan-24-oyl)glycine; N-[(3.a.,5.beta.,7.beta.)-3,7-Dihyd; N-[(3.a.,5.beta.,7.beta.)-3,7-dihydroxy-24-oxocholan-24-yl]Glycine
Typical Product Specifications
EINECS
1592732-453-0
SMILES
C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI
GHCZAUBVMUEKKP-XROMFQGDSA-N
InChIKey
1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1
log P (octanol-water)
2.02
Vapor Pressure
8.36E-18 mm Hg
Water solubility
1.35 mg/L
Atmospheric OH Rate Constant
6.42E-11 cm3/molecule-sec
Henry's Law Constant
9.38E-17 atm-m3/mole
Class
