Cas no 41753-54-2 (Benzeneacetonitrile, a-(b-D-glucopyranosyloxy)-3-hydroxy-, (aR)-)
41753-54-2 structure
Product Name:Benzeneacetonitrile, a-(b-D-glucopyranosyloxy)-3-hydroxy-, (aR)-
CAS No:41753-54-2
MF:C14H17NO7
MW:311.287284612656
CID:330798
PubChem ID:92323
Update Time:2025-04-19
Benzeneacetonitrile, a-(b-D-glucopyranosyloxy)-3-hydroxy-, (aR)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile, a-(b-D-glucopyranosyloxy)-3-hydroxy-, (aR)-
- HOLOCALIN
- HOLOCALIN(P)
- (R)-(β-D-glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile
- (R)-Holocalin
- 2-(β-D-Glucopyranosyloxy)-2-(3-hydroxyphenyl)acetonitril
- Einecs 255-533-3
- (R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile
- DTXSID10961956
- NS00056599
- (Hexopyranosyloxy)(3-hydroxyphenyl)acetonitrile
- 41753-54-2
- (R)-2-(3-Hydroxyphenyl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)acetonitrile
-
- Inchi： 1S/C14H17NO7/c15-5-9(7-2-1-3-8(17)4-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10+,11+,12-,13+,14+/m0/s1
- InChI Key： KCVXNPDAHDGXFD-GMDXDWKASA-N
- SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)O[C@@H](C#N)C1C=CC=C(C=1)O
Computed Properties
- Exact Mass: 311.10100
- Monoisotopic Mass: 311.10050188g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 411
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.9
- Topological Polar Surface Area: 143?2
Experimental Properties
- PSA: 143.40000
- LogP: -1.22662
Benzeneacetonitrile, a-(b-D-glucopyranosyloxy)-3-hydroxy-, (aR)- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
4. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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