Cas no 177794-04-6 (Calystegine A6)
Calystegine A6 structure
Product Name:Calystegine A6
CAS No:177794-04-6
MF:C7H13NO3
MW:159.183022260666
CID:2087190
PubChem ID:85271756
Update Time:2025-04-21
Calystegine A6 Chemical and Physical Properties
Names and Identifiers
-
- Calystegine A6
- NS00094403
- 177794-04-6
- 9XUM63JU7F
- (1R,2S,5S,7R)-8-AZABICYCLO(3.2.1)OCTANE-1,2,7-TRIOL
- DTXSID901221583
- (1S,2S,5S,7S)-8-azabicyclo[3.2.1]octane-1,2,7-triol
- FS-6675
- 8-Azabicyclo(3.2.1)octane-1,2,7-triol, (1S,2S,5S,7S)-
- (1R,2R,5R,7R)-8-azabicyclo[3.2.1]octane-1,2,7-triol
- AKOS040735546
- CHEBI:173685
-
- Inchi: 1S/C7H13NO3/c9-5-2-1-4-3-6(10)7(5,11)8-4/h4-6,8-11H,1-3H2/t4-,5-,6-,7-/m0/s1
- InChI Key: YOBNKFROEGVQPW-AXMZGBSTSA-N
- SMILES: O[C@@]12[C@H](CC[C@@H](C[C@@H]1O)N2)O
Computed Properties
- Exact Mass: 159.08954328g/mol
- Monoisotopic Mass: 159.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 175
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.5
- Topological Polar Surface Area: 72.7?2
Experimental Properties
- Color/Form: Powder
Calystegine A6 Related Literature
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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