CAS No.10421-49-5,HYODEOXYCHOLIC ACID SODIUM SALT Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10421-49-5
Name:	HYODEOXYCHOLIC ACID SODIUM SALT
Article Data:	1

Formula:	C₂₄H₃₉NaO₄
Molecular Weight:	414.561
Synonyms:	5b-Cholan-24-oic acid, 3a,6a-dihydroxy-, monosodium salt (8CI);Cholan-24-oicacid, 3,6-dihydroxy-, monosodium salt, (3a,5b,6a)- (9CI);Sodium hyodeoxycholate;Sodium hyodesoxycholate;Hyodeoxycholic acid sodium salt;
EINECS:	201-483-2
Boiling Point:	547.1 °C at 760 mmHg
Flash Point:	298.8 °C
Solubility:	Sparingly soluble in water.(0.26 g/L) (25°C),
Risk Codes:	36/37/38
Safety:	26-37
PSA:	80.59000
LogP:	3.14320

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Specification

The Cholan-24-oic acid,3,6-dihydroxy-, sodium salt (1:1), (3a,5b,6a)- is an organic compound with the formula C₂₄H₃₉NaO₄. The IUPAC name of this chemical is sodium 4-(3,6-dihydroxy-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. With the CAS registry number 10421-49-5, it is also named as Sodium hyodeoxycholate. The product's categories are Bile Acids; Biochemistry; Steroids. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of Cholan-24-oic acid,3,6-dihydroxy-, sodium salt (1:1), (3a,5b,6a)- can be summarized as: (1)ACD/LogP: 5.00; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 55.76 Å²; (7)Flash Point: 298.8 °C; (8)Enthalpy of Vaporization: 95.01 kJ/mol; (9)Boiling Point: 547.1 °C at 760 mmHg; (10)Vapour Pressure: 2.98E-14 mmHg at 25°C; (11)Rotatable Bond Count: 4; (12)Exact Mass: 414.274604; (13)MonoIsotopic Mass: 414.274604; (14)Topological Polar Surface Area: 80.6; (15)Heavy Atom Count: 29; (16)Complexity: 612.

People can use the following data to convert to the molecule structure.
1. SMILES:[Na+].[O-]C(=O)CC[C@@H](C)[C@@H]4[C@]3(CCC1C(C[C@H](O)[C@@H]2C[C@H](O)CC[C@]12C)C3CC4)C
2. InChI:InChI=1/C24H40O4.Na/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16,17-,18,19,20+,21+,23-,24-;/m1./s1
3. InChIKey:DUYSCILLIVEITB-DLXVJYDXBV