Products for Research Use Only
RegisterLogin

Cholic Acid 7-sulfate

CAT: 0013-GTR19190404-01Size: 500 µgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19190404-01Size:500 µg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Cholic Acid 7-sulfate
CAS Number
60320-05-0
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
O (S (=O) (=O) O) [C@H]1[C@]2 ([C@]3 ([C@@] (C) ([C@@] ([C@@H] (CCC (O) =O) C) (CC3) [H]) [C@@H] (O) C[C@@]2 ([C@]4 (C) [C@] (C1) (C[C@H] (O) CC4) [H]) [H]) [H]) [H]
Molecular Formula
C24H40O8S
Molecular Weight
488.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-Sulfocholic acid

7-Sulfocholic acid is a cholanoid. It is a conjugate acid of a cholate 7-sulfate(2-).

CAS Number60320-05-0
PubChem CID459070
IUPAC Name(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular FormulaC24H40O8S
Molecular Weight488.6
XLogP3.2
Topological Polar Surface Area150
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity855
SMILES
C[C@H](CCC(=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)OS(=O)(=O)O)O)C
InChI
InChI=1S/C24H40O8S/c1-13(4-7-21(27)28)16-5-6-17-22-18(12-20(26)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)32-33(29,30)31/h13-20,22,25-26H,4-12H2,1-3H3,(H,27,28)(H,29,30,31)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChIKey
RRVLNNMINXAIKC-OELDTZBJSA-N
Chemical Structure
2D Structure
2D structure of 7-Sulfocholic acid
CAS: 60320-05-0
CID: 459070
Formula: C24H40O8S
MW: 488.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.6
XLogP33.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass488.24438940
Monoisotopic Mass488.24438940
Topological Polar Surface Area150 Ų
Heavy Atom Count33
Formal Charge0
Complexity855
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19279378-01Cholic acid 3-sulfate
GTR19266374-01Cholic acid 3-sulfate sodium
GTR19213298-01Cholic acid
GTR19171305-01Cholic Acid
GTR19191615-01Cholic Acid anilide
GTR17915630-01Cholic acid Antibody
GTR19170646Cholic acid sodium
GTR19342756-01Cholic acid-Biotin
GTR19263070-01Cholic acid-Glu
GTR19257691-01Tryptophan-cholic acid

Alternative Products

CatalogName
HY-126855-01Cholic acid 7-sulfate
TN11554-01Cholic acid 7-sulfate sodium
HY-126855SCholic acid 7-sulfate-d4
HY-126855A-01Cholic acid 7-sulfate (sodium)
HY-N17272Cholic acid 3-sulfate
TN11564-01Cholic acid 3-sulfate sodium
HY-W1002768-01Cholic acid 3-sulfate (sodium)
RM-C080307-01Cholic Acid Impurity 7
HY-139614S-01Cholic acid 3-sulfate-d4 (disodium)
RM-C080315-01Cholic Acid Impurity 15 (7-Ketodeoxycholic Acid)

Popular Products