Cas no 129724-72-7 (1,6,8-Indolizinetriol,octahydro-, (1S,6S,8S,8aR)-)
129724-72-7 structure
Product Name:1,6,8-Indolizinetriol,octahydro-, (1S,6S,8S,8aR)-
CAS No:129724-72-7
MF:C8H15NO3
MW:173.209602594376
CID:154725
PubChem ID:125391
Update Time:2025-04-19
1,6,8-Indolizinetriol,octahydro-, (1S,6S,8S,8aR)- Chemical and Physical Properties
Names and Identifiers
-
- 1,6,8-Indolizinetriol,octahydro-, (1S,6S,8S,8aR)-
- (1S,6S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol
- 7-deoxycastanospermine
- (1S-(1alpha,6alpha,8beta,8abeta))-Octahydro-1,6,8-indolizinetriol
- (1S,6S,8S,8aR)-octahydroindolizine-1,6,8-triol
- 1,6,8-Indolizinetriol, octahydro-, (1S-(1alpha,6alpha,8beta,8abeta))-
- 7-Deoxy-6-epi-castanospermine
- 129724-72-7
- CHEMBL500898
- (1S,6S,8S,8aR)-1,6,8-trihydroxyindolizidine
- DTXSID10156229
-
- Inchi： 1S/C8H15NO3/c10-5-3-7(12)8-6(11)1-2-9(8)4-5/h5-8,10-12H,1-4H2/t5-,6-,7-,8+/m0/s1
- InChI Key： CTNHKDHQKRJTIU-DKXJUACHSA-N
- SMILES： O[C@H]1CCN2C[C@H](C[C@@H]([C@H]21)O)O
Computed Properties
- Exact Mass: 173.10525
- Monoisotopic Mass: 173.105193
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 176
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.9
- XLogP3: -1.3
Experimental Properties
- Density: 1.38
- Boiling Point: 356.8°Cat760mmHg
- Flash Point: 212.9°C
- Refractive Index: 1.608
- PSA: 63.93
1,6,8-Indolizinetriol,octahydro-, (1S,6S,8S,8aR)- Related Literature
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Weixuan Zeng,Ouissam El Bakouri,Henrik Ottosson Chem. Sci., 2021,12, 6159-6171
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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