Cas no 151168-59-1 (prop-2-yn-1-yl β-D-glucopyranoside)
151168-59-1 structure
Product Name:prop-2-yn-1-yl β-D-glucopyranoside
CAS No:151168-59-1
MF:C9H14O6
MW:218.203863620758
CID:2918068
PubChem ID:172642135
Update Time:2025-04-21
prop-2-yn-1-yl β-D-glucopyranoside Chemical and Physical Properties
Names and Identifiers
-
- prop-2-yn-1-yl β-D-glucopyranoside
- prop-2-ynyl-β-D-glucopyranoside;2-propyn-1-yl β-D-glucopyranoside;propyn-3-yl β-D-glucopyranoside;2-propynyl β-D-glucopyranoside;1-propargyl-β-D-glucopyranoside;prop-2-ynyl β-D-glucopyranoside;
- Propargyl b-D-galactopyranoside
- MP15279
- 151168-59-1
-
- Inchi： 1S/C9H14O6/c1-2-3-14-9-8(13)7(12)6(11)5(4-10)15-9/h1,5-13H,3-4H2/t5?,6-,7+,8?,9+/m0/s1
- InChI Key： DSKUDOWHGLWCBQ-MBBVIESWSA-N
- SMILES： O1[C@H](C([C@@H]([C@H](C1CO)O)O)O)OCC#C
Computed Properties
- Exact Mass: 218.07900
- Monoisotopic Mass: 218.07903816Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 246
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.1
- Topological Polar Surface Area: 99.4?2
Experimental Properties
- PSA: 99.38000
- LogP: -2.56390
prop-2-yn-1-yl β-D-glucopyranoside Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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