Cas no 26671-58-9 (myo-Inositol, 5-deoxy-)
myo-Inositol, 5-deoxy- structure
Product Name:myo-Inositol, 5-deoxy-
CAS No:26671-58-9
MF:C6H12O5
MW:164.156482696533
CID:277402
PubChem ID:168586
Update Time:2025-04-19
myo-Inositol, 5-deoxy- Chemical and Physical Properties
Names and Identifiers
-
- myo-Inositol, 5-deoxy-
- (1α,2β,3α,4α,5β)-1,2,3,4,5-Cyclohexanpentol
- (1r,2s,4r,5s)-cyclohexane-1,2,3,4,5-pentol
- scyllo-Quercit
- SCHEMBL857109
- CHEMBL467977
- 26671-58-9
- DTXSID801018256
- 5-Deoxy-myo-inositol
- neo-Quercitol
- 5-Deoxyinositol
-
- Inchi： 1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3+,4+,5-,6?
- InChI Key： IMPKVMRTXBRHRB-KFJBKXNJSA-N
- SMILES： OC1[C@@H]([C@H](C[C@H]([C@@H]1O)O)O)O
Computed Properties
- Exact Mass: 164.06846
- Monoisotopic Mass: 164.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 125
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.7
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 101.15
myo-Inositol, 5-deoxy- Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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