Cas no 123920-16-1 (a-D-ribo-Hexopyranoside, methyl3-deoxy-2-O-2-propen-1-yl-)
123920-16-1 structure
Product Name:a-D-ribo-Hexopyranoside, methyl3-deoxy-2-O-2-propen-1-yl-
CAS No:123920-16-1
MF:C10H18O5
MW:218.246923923492
CID:104292
Update Time:2024-01-24
a-D-ribo-Hexopyranoside, methyl3-deoxy-2-O-2-propen-1-yl- Chemical and Physical Properties
Names and Identifiers
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- a-D-ribo-Hexopyranoside, methyl3-deoxy-2-O-2-propen-1-yl-
- .alpha.-D-ribo-Hexopyranoside, methyl 3-deoxy-2-O-2-propenyl-
- α-D-ribo-Hexopyranoside, methyl 3-deoxy-2-O-2-propen-1-yl-
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- Inchi： 1S/C10H18O5/c1-3-4-14-8-5-7(12)9(6-11)15-10(8)13-2/h3,7-12H,1,4-6H2,2H3/t7-,8+,9+,10-/m0/s1
- InChI Key： LYGWZIXMDBKRNW-JLIMGVALSA-N
- SMILES： O([C@@H]1C[C@H](O)[C@@H](CO)O[C@@H]1OC)CC=C
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 314
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.2
Experimental Properties
- Density: 1.16±0.1 g/cm3(Predicted)
- Boiling Point: 357.3±42.0 °C(Predicted)
- pka: 13.61±0.70(Predicted)
a-D-ribo-Hexopyranoside, methyl3-deoxy-2-O-2-propen-1-yl- Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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