Cas no 66421-55-4 (Glycocholsaeure)
Glycocholsaeure structure
Product Name:Glycocholsaeure
CAS No:66421-55-4
MF:C26H43NO6
MW:465.622728586197
CID:2013241
PubChem ID:12358464
Update Time:2025-04-21
Glycocholsaeure Chemical and Physical Properties
Names and Identifiers
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- Glycocholsaeure
- Glykocholsaeure
- Glycoallocholic acid
- DTXSID10859389
- 66421-55-4
-
- Inchi： 1S/C26H43NO6/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)/t14-,15-,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1
- InChI Key： RFDAIACWWDREDC-JODXHIDWSA-N
- SMILES： O[C@H]1C[C@@H]2[C@@]3(C)CC[C@H](C[C@@H]3C[C@H]([C@H]2[C@@H]2CC[C@H]([C@H](C)CCC(NCC(=O)O)=O)[C@]21C)O)O
Computed Properties
- Exact Mass: 465.30903809Da
- Monoisotopic Mass: 465.30903809Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 33
- Rotatable Bond Count: 6
- Complexity: 759
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 11
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 127?2
Glycocholsaeure Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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