α-Phocaecholic acid

CAT: 0013-GTR19279420-02Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0013-GTR19279420-02Size:50 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

Description

α-Phocaecholic acid is a nucleoside metabolite.

CAS Number

6879-45-4

Smiles

O[C@H]1[C@]2 ([C@]3 ([C@@] (C) ([C@@] ([C@@H] (C[C@H] (C (O) =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

C24H40O6

Molecular Weight

424.58

Notes

For research use only.

Chemical Information

(3alpha,5beta,7alpha,12alpha,23R)-3,7,12,23-Tetrahydroxycholan-24-oic acid

Alpha-Phocaecholic acid is a bile acid.

CAS Number	6879-45-4
PubChem CID	193429
IUPAC Name	(2R,4R)-2-hydroxy-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]pentanoic acid
Molecular Formula	C24H40O6
Molecular Weight	424.6
XLogP	3
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	30
Formal Charge	0
Complexity	668

SMILES

C[C@H](C[C@H](C(=O)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

InChI

InChI=1S/C24H40O6/c1-12(8-19(27)22(29)30)15-4-5-16-21-17(11-20(28)24(15,16)3)23(2)7-6-14(25)9-13(23)10-18(21)26/h12-21,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13+,14-,15-,16+,17+,18-,19-,20+,21+,23+,24-/m1/s1

InChIKey

UJYLRDMHTJWIQW-SWSYAYITSA-N

Chemical Structure

2D Structure

CAS: 6879-45-4

CID: 193429

Formula: C24H40O6

MW: 424.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	424.6
XLogP3	3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	424.28248899
Monoisotopic Mass	424.28248899
Topological Polar Surface Area	118 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	668
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
GTR19154372-01	Koningic acid (Heptelidic acid)
GTR19350542-01	Acid Red 186 free acid
GTR19215994-01	Acid-PEG2-SS-PEG2-acid
GTR19226787-01	Acid-PEG3-SS-PEG3-acid
GTR19226061-01	Acid-PEG4-S-PEG4-acid
GTR19222080-01	Acid-PEG8-S-S-PEG8-acid
GTR19150586	Lignoceric acid-BSA (Fatty Acid Free)
GTR19150588	Arachidic acid-BSA (Fatty Acid Free)
GTR19226785-01	Acid-PEG4-S-S-PEG4-acid
GTR19150587	Docosanoic acid-BSA (Fatty Acid Free)

Alternative Products

Catalog	Name
HY-N15317-01	Phocaecholic acid
RM-G250347-01	Phocaecholic acid; (23R) -Hydroxychenodeoxycholic acid
OR1071368-01	Acid-apeg6-acid
M2859	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
MBS6036559-01	a-Lipoic Acid (Thioctic Acid)

α-Phocaecholic acid

Chemical Information

Related Products

Alternative Products

Popular Products