Cas no 56805-09-5 ([(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-[(3S,5S)-5-hydroxyhexan-3-yl]oxyoxan-2-yl]methyl acetate)
![[(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-[(3S,5S)-5-hydroxyhexan-3-yl]oxyoxan-2-yl]methyl acetate structure](https://ossimg.kuujia.com/scimg/57000/56805-09-5x500.png)
56805-09-5 structure
Product Name:[(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-[(3S,5S)-5-hydroxyhexan-3-yl]oxyoxan-2-yl]methyl acetate
CAS No:56805-09-5
MF:C20H32O11
MW:448.461487770081
CID:2184416
Update Time:2023-08-05
[(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-[(3S,5S)-5-hydroxyhexan-3-yl]oxyoxan-2-yl]methyl acetate Chemical and Physical Properties
Names and Identifiers
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- (1S,3s)-1-ethyl-3-hydroxy-1-[(2-o,3-o,4-o,6-o-tetraacetyl-β-d-glucopyranosyl)oxy]butane
- (1S,3S)-1-Ethyl-3-hydroxy-1-[(2-O,3-O,4-O,6-O-tetraacetyl-beta-D-glucopyranosyl)oxy]butane
- [(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-[(3S,5S)-5-hydroxyhexan-3-yl]oxyoxan-2-yl]methyl acetate
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- Inchi： 1S/C20H32O11/c1-7-15(8-10(2)21)30-20-19(29-14(6)25)18(28-13(5)24)17(27-12(4)23)16(31-20)9-26-11(3)22/h10,15-21H,7-9H2,1-6H3/t10-,15-,16+,17+,18-,19+,20+/m0/s1
- InChI Key： HMLSWYDFWAOFGV-KXKPOQBMSA-N
- SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)O[C@@H](CC)C[C@H](C)O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 31
- Rotatable Bond Count: 14
- Complexity: 635
- XLogP3: 1.7
- Topological Polar Surface Area: 144
[(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-[(3S,5S)-5-hydroxyhexan-3-yl]oxyoxan-2-yl]methyl acetate Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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