Cas no 127279-08-7 ((2S,3R,4S,5R,6R)-6-Ethyloxane-2,3,4,5-tetrol)
127279-08-7 structure
Product Name:(2S,3R,4S,5R,6R)-6-Ethyloxane-2,3,4,5-tetrol
CAS No:127279-08-7
MF:C7H14O5
MW:178.183063030243
CID:159999
PubChem ID:9548577
Update Time:2024-02-29
(2S,3R,4S,5R,6R)-6-Ethyloxane-2,3,4,5-tetrol Chemical and Physical Properties
Names and Identifiers
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- SHU 508 (9CI)
- SHU 508
- TA-508
- (2S,3R,4S,5R,6R)-6-Ethyloxane-2,3,4,5-tetrol
-
- Inchi： 1S/C7H14O5/c1-2-3-4(8)5(9)6(10)7(11)12-3/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1
- InChI Key： HIPAIKSXHJHWJX-PZRMXXKTSA-N
- SMILES： O1[C@@H]([C@@H]([C@H]([C@H]([C@H]1CC)O)O)O)O
Computed Properties
- Exact Mass: 178.08412354g/mol
- Monoisotopic Mass: 178.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 151
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 90.2
- XLogP3: -1.6
(2S,3R,4S,5R,6R)-6-Ethyloxane-2,3,4,5-tetrol Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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