Cas no 89460-01-5 ((2S)-phenyl{[6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}ethanenitrile)
![(2S)-phenyl{[6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}ethanenitrile structure](https://ossimg.kuujia.com/scimg/89500/89460-01-5x500.png)
89460-01-5 structure
Product Name:(2S)-phenyl{[6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}ethanenitrile
CAS No:89460-01-5
MF:C19H25NO10
MW:427.40250658989
CID:1941768
PubChem ID:441468
Update Time:2024-03-01
(2S)-phenyl{[6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}ethanenitrile Chemical and Physical Properties
Names and Identifiers
-
- (2S)-phenyl{[6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}ethanenitrile
- Benzeneacetonitrile, α-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-, (αS)-
- Epilucumin
- 89460-01-5
-
- Inchi： 1S/C19H25NO10/c20-6-11(9-4-2-1-3-5-9)29-19-17(26)15(24)14(23)12(30-19)8-28-18-16(25)13(22)10(21)7-27-18/h1-5,10-19,21-26H,7-8H2/t10-,11-,12-,13+,14-,15+,16-,17-,18+,19-/m1/s1
- InChI Key： YYYCJNDALLBNEG-JZUPCCSTSA-N
- SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O)O[C@H](C#N)C1C=CC=CC=1
Computed Properties
- Exact Mass: 427.148
- Monoisotopic Mass: 427.148
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 30
- Rotatable Bond Count: 6
- Complexity: 593
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.6
- Topological Polar Surface Area: 182?2
Experimental Properties
- Density: 1.56
- Boiling Point: 696.5°C at 760 mmHg
- Flash Point: 375.1°C
- Refractive Index: 1.641
(2S)-phenyl{[6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}ethanenitrile Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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