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270911

Sodium cholate hydrate

Name: Sodium cholate hydrate
Brand: ALDRICH

98%

Synonym(s):

3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid sodium salt, Cholalic acid sodium salt

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About This Item

Empirical Formula (Hill Notation):

C₂₄H₃₉NaO₅ · xH₂O

CAS Number:

206986-87-0

Molecular Weight:

430.55 (anhydrous basis)

EC Number:

206-643-5

UNSPSC Code:

12161900

MDL number:

MFCD00150749

Beilstein/REAXYS Number:

3582354

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Properties

assay

98%

optical activity

[α]20/D +31.3°, c = 0.5 in H₂O

mol wt

micellar avg mol wt 900-1300

aggregation number

2-3

CMC

9-15 mM (20-25°C)

HLB

SMILES string

O.[Na+].C[C@H](CCC([O-])=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C

InChI

1S/C24H40O5.Na.H2O/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);;1H2/q;+1;/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;;/m1../s1

InChI key

MUVVIYFKOVLQHL-RCVKHMDESA-M

Description

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hcodes

H412

pcodes

P273 - P501

Hazard Classifications

Aquatic Chronic 3

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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