Cas no 81907-02-0 (Oxiranecarbonitrile,3-[(b-D-glucopyranosyloxy)methyl]-2-(hydroxymethyl)-(9CI))
![Oxiranecarbonitrile,3-[(b-D-glucopyranosyloxy)methyl]-2-(hydroxymethyl)-(9CI) structure](https://ossimg.kuujia.com/scimg/82000/81907-02-0x500.png)
81907-02-0 structure
Product Name:Oxiranecarbonitrile,3-[(b-D-glucopyranosyloxy)methyl]-2-(hydroxymethyl)-(9CI)
CAS No:81907-02-0
MF:C11H17NO8
MW:291.25458407402
CID:731374
PubChem ID:441472
Update Time:2025-04-19
Oxiranecarbonitrile,3-[(b-D-glucopyranosyloxy)methyl]-2-(hydroxymethyl)-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- Oxiranecarbonitrile,3-[(b-D-glucopyranosyloxy)methyl]-2-(hydroxymethyl)-(9CI)
- 2-(hydroxymethyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxirane-2-carbonitrile
- Q27108225
- 81907-02-0
- Sarmentosin epoxide
- C11H17NO8
- C08341
- CHEBI:9034
- AC1L9B8A
- 2-(hydroxymethyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]oxirane-2-carbonitrile
- DTXSID40331582
-
- Inchi： 1S/C11H17NO8/c12-3-11(4-14)6(20-11)2-18-10-9(17)8(16)7(15)5(1-13)19-10/h5-10,13-17H,1-2,4H2/t5-,6?,7-,8+,9-,10-,11?/m1/s1
- InChI Key： MGWCXJDKHMCXRL-YMGPVYFXSA-N
- SMILES： O1C(C#N)(CO)C1CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O
Computed Properties
- Exact Mass: 291.09541650g/mol
- Monoisotopic Mass: 291.09541650g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 397
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3.4
- Topological Polar Surface Area: 156?2
Oxiranecarbonitrile,3-[(b-D-glucopyranosyloxy)methyl]-2-(hydroxymethyl)-(9CI) Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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