Cas no 13093-89-5 ((2R)-2-O-(beta-D-glucopyranosyl)mandelonitrile)
13093-89-5 structure
Product Name:(2R)-2-O-(beta-D-glucopyranosyl)mandelonitrile
CAS No:13093-89-5
MF:C14H17NO6
MW:295.287884473801
CID:2043451
PubChem ID:12314647
Update Time:2025-04-21
(2R)-2-O-(beta-D-glucopyranosyl)mandelonitrile Chemical and Physical Properties
Names and Identifiers
-
- (2R)-2-O-(beta-D-glucopyranosyl)mandelonitrile
- (2S)-sambunigrin
- (alphaR)-prunasin
- (R)-2-(beta-D-glucopyranosyloxy)-2-phenylacetonitrile
- (R)-mandelonitrile beta-D-glucopyranoside
- (R)-prunasin
- (S)-alpha-(beta-D-glucopyranosyloxy)-benzeneacetonitrile
- (S)-beta-D-Glucopyranosyloxy-phenyl-acetonitril
- (S)-beta-D-glucopyranosyloxy-phenyl-acetonitrile
- 2-(beta-D-Glucopyranosyloxy)-2-phenylacetonitril
- mandelonitrile-beta-D-glucoside
- Prulaurasin
- Prunasin
- Sambunigrin
- Glucopyranoside, I+/--cyanobenzyl, D-
- 13093-89-5
- DTXSID101297403
- SCHEMBL4925774
-
- Inchi： 1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9?,10-,11-,12+,13-,14?/m1/s1
- InChI Key： ZKSZEJFBGODIJW-JURVZFMHSA-N
- SMILES： O1C([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC(C#N)C1C=CC=CC=1
Computed Properties
- Exact Mass: 295.10558726Da
- Monoisotopic Mass: 295.10558726Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 377
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.7
- Topological Polar Surface Area: 123?2
(2R)-2-O-(beta-D-glucopyranosyl)mandelonitrile Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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