Sodium Cholate 98% For Biochemistry

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CAS Number

361-09-1

HS Code

29181990

Packaging Group

Chemical Information

Sodium Cholate

Sodium cholate is a cholate salt and an organic sodium salt.

CAS Number	361-09-1
PubChem CID	23668194
IUPAC Name	sodium (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]pentanoate
Molecular Formula	C24H39NaO5
Molecular Weight	430.6
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	30
Formal Charge	0
Complexity	643

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)O)O)C.[Na+]

InChI

InChI=1S/C24H40O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;/m1./s1

InChIKey

NRHMKIHPTBHXPF-TUJRSCDTSA-M

Chemical Structure

2D Structure

CAS: 361-09-1

CID: 23668194

Formula: C24H39NaO5

MW: 430.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	430.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	430.26951862
Monoisotopic Mass	430.26951862
Topological Polar Surface Area	101 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	643
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Sodium Cholate 98% For Biochemistry

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