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Glycodeoxycholic Acid-D4

CAT: 1134-ESS0547-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1134-ESS0547-04Size:100 mg
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CAS Number
1069132-37-1
Synonyms
N-[ (3α,5β,12α) -3,12-dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]-glycine
H Phrases
H303
UDF Signal Word
Warning
Hazard Statement
Not dangerous goods.
Applications
Deuterated Deoxycholic Acid Metabolite
Molecular Formula
C26H39D4NO5
Molecular Weight
453.65
Packaging Group
Not Available. Not dangerous goods.
Shipping Conditions
Room temerature
Storage Conditions
Store at -18ºC
Hazardous Class
Not dangerous goods.

Chemical Information

Glycodeoxycholic-2,2,4,4-d4 acid

Glycodeoxycholic acid-2,2,4,4-d4 is a glycodeoxycholic acid and a deuterated compound.

CAS Number1069132-37-1
PubChem CID71309868
IUPAC Name2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,12-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
Molecular FormulaC26H43NO5
Molecular Weight453.6
XLogP4.3
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity727
SMILES
[2H]C1(C[C@]2([C@H](CC[C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)O)C)O)C([C@@H]1O)([2H])[2H])C)[2H]
InChI
InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1/i10D2,12D2
InChIKey
WVULKSPCQVQLCU-JHVXYEQYSA-N
Chemical Structure
2D Structure
2D structure of Glycodeoxycholic-2,2,4,4-d4 acid
CAS: 1069132-37-1
CID: 71309868
Formula: C26H43NO5
MW: 453.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.6
XLogP34.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass453.33923046
Monoisotopic Mass453.33923046
Topological Polar Surface Area107 Ų
Heavy Atom Count32
Formal Charge0
Complexity727
Isotope Atom Count4
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-125731S-01Glycodeoxycholic acid-d4
HY-141916SGlycodeoxycholic acid sulfate-d4 (disodium)
HY-139610S1-013-Sulfo-glycodeoxycholic acid-d4 (sodium)
HY-139610S-013-Sulfo-glycodeoxycholic acid-d4 (disodium)
BUP16783-01GLYCODEOXYCHOLIC ACID
TRC-G641418-1MGGlycodeoxycholic Acid (2,2,4,4-d4)
RM-G123302-01Glycodeoxycholic-2,2,4,4-D4 Acid
HY-N1427A-01Glycodeoxycholic acid (monohydrate)
T38468-01Glycodeoxycholic acid monohydrate
HY-W653999Glycodeoxycholic acid-d5

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