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Glycocholic Acid

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Glycocholic Acid / CAS : 475-31-0

Appearance White crystalline powder UN 3077
HS 29242990 DG Class 9
Synonyms Glycocholate; N-Choloylglycine; Cholylglycine; Glycine, N-Choloyl-; N-Cholylglycine; Glycocholic Acid Hydrate; 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-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; 3Alpha,7Alpha,12Alpha-Trihydroxy-5Beta-Cholan-24-Oylglycine; Glycine, N-[(3A,5B,7A,12A)-3,7,12-Trihydroxy-24-Oxocholan-24-Yl]-; N-(3Alpha,7Alpha,12Alpha-Trihydroxy-5Beta-Cholan-24-Oyl)Glycine
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Properties

Summary

Formula
C26H43NO6
Molecular Mass
465.62300
Exact Mass
465.30900
PSA
127.09000
Logp
2.95580
IUPAC
2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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
SMILES
C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
128 °C
Density
1.1336 g/cm3
Boiling Point
692 ºC
Flash Point
372.3 ºC
Appearance
White crystalline powder
Acidity and Basicity
acidness

Export information

HS Code
29242990
Export Rebate
13%
UN No.
3077
DG-Class
9
Risk Code
R51/53
Safety Label
N

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