Glycocholic acid hydrate

• Catalog Number: ACM1192657832
• Product Name: Glycocholic acid hydrate
• CAS: 1192657-83-2
• Category: Main Products
• Synonyms: 3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid N-(carboxymethyl)amide
• IUPAC Name: 2-[[(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]pentanoyl]amino]acetic acid;hydrate
• Molecular Weight: 465.62 (anhydrous basis)
• Molecular Formula: C26H43NO6·xH₂O
• Canonical SMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.O
• InChI: InChI=1S/C26H43NO6.H₂O/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);1H2/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1
• InChI Key: WDKPRHOCWKLQPK-ZUHYDKSRSA-N
• Appearance: Powder
• Complexity: 759
• Exact Mass: 483.31960277
• Formal Charge: 0
• Heavy Atom Count: 34
• Hydrogen Bond Acceptor Count: 7
• Hydrogen Bond Donor Count: 6
• Isomeric SMILES: C[C@H](CCC(=O)NCC(=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.O
• MDL Number: MFCD06408004
• Monoisotopic Mass: 483.31960277
• Rotatable Bond Count: 6
• Shipping: Ambient temperature
• Storage Conditions: Room temperature
• Topological Polar Surface Area: 128 Ų

Custom Q&A

What is the molecular formula of Glycocholic acid hydrate?

The molecular formula of Glycocholic acid hydrate is C26H45NO7.

What are the synonyms of Glycocholic acid hydrate?

The synonyms of Glycocholic acid hydrate are 1192657-83-2, Glycocholic acid (hydrate), MLS001304001.

What is the molecular weight of Glycocholic acid hydrate?

The molecular weight of Glycocholic acid hydrate is 483.6 g/mol.

What is the parent compound of Glycocholic acid hydrate?

The parent compound of Glycocholic acid hydrate is Glycocholic acid.

What are the component compounds of Glycocholic acid hydrate?

The component compounds of Glycocholic acid hydrate are Water (CID 962) and Glycocholic acid (CID 10140).

When was Glycocholic acid hydrate created?

Glycocholic acid hydrate was created on July 21, 2008.

When was Glycocholic acid hydrate last modified?

Glycocholic acid hydrate was last modified on October 21, 2023.

What is the IUPAC name of Glycocholic acid hydrate?

The IUPAC name of Glycocholic acid hydrate is 2-[[(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]pentanoyl]amino]acetic acid;hydrate.

What is the InChIKey of Glycocholic acid hydrate?

The InChIKey of Glycocholic acid hydrate is WDKPRHOCWKLQPK-ZUHYDKSRSA-N.

What is the CAS number of Glycocholic acid hydrate?

The CAS number of Glycocholic acid hydrate is 1192657-83-2.