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Sodium Cholate 98% For Biochemistry

CAT: 1278-02389 00025Size: 25 gDry Ice: NoHazardous: No
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CAS Number
361-09-1
HS Code
29181990
Packaging Group
GB

Chemical Information

Sodium Cholate

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

CAS Number361-09-1
PubChem CID23668194
IUPAC Namesodium (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 FormulaC24H39NaO5
Molecular Weight430.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity643
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
2D structure of Sodium Cholate
CAS: 361-09-1
CID: 23668194
Formula: C24H39NaO5
MW: 430.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass430.26951862
Monoisotopic Mass430.26951862
Topological Polar Surface Area101 Ų
Heavy Atom Count30
Formal Charge0
Complexity643
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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