Cas no 7600-53-5 (1r-Methoxy-cyclohexanpentol-(2c.3t.4c.5t.6c))
7600-53-5 structure
Product Name:1r-Methoxy-cyclohexanpentol-(2c.3t.4c.5t.6c)
CAS No:7600-53-5
MF:C7H14O6
MW:194.182463169098
CID:2038912
PubChem ID:439990
Update Time:2025-04-21
1r-Methoxy-cyclohexanpentol-(2c.3t.4c.5t.6c) Chemical and Physical Properties
Names and Identifiers
-
- 1r-Methoxy-cyclohexanpentol-(2c.3t.4c.5t.6c)
- 2-O-Methyl-myo-inosit
- 2-O-methyl-myo-inositol
- O2-methyl-myo-inositol
- sequoyitol
- HY-N2421
- CS-0022628
- 7600-53-5
- CHEMBL460057
- DSCFFEYYQKSRSV-MVWKSXLKSA-N
- (1S,2R,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol
- 6A797581-AC95-4A84-9F74-C05E5465011A
- E80607
- bmse000740
- 523-92-2
- NS00121132
- SCHEMBL1888646
- CHEBI:179104
- 1D-5-O-Methyl-myo-inositol
- myo-Inositol, 5-O-methyl-
- DTXSID801313753
- (+)-3-O-methyl-d-chiro-inositol
- DTXSID301035423
- AC-32615
- SCHEMBL1059036
- CCG-266528
- MS-23046
- EINECS 208-352-9
- CHEBI:15975
- MM10128
- O-Methyl-scyllo-inositol
- C03365
- (1R,2S,3r,4R,5S,6r)-6-methoxycyclohexane-1,2,3,4,5-pentol
- (1R,2S,3r,4R,5S,6r)-6-methoxycyclohexane-1,2,3,4,5-pentaol
- AKOS006272498
- 5-O-Methyl-myo-inositol
- 1-O-Methyl-scyllo-inositol
- DTXCID501519798
- myo-5-O-Methyl-inositol; Sequoyitol; 5-O-Methyl-myo-inositol; Sequoyit
- s9343
- C05163
- (1R,2S,4R,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
- SCHEMBL7155914
- Q27098326
- 208-352-9
- (1R,2S,4R,5S)-6-Methoxycyclohexane-1,2,3,4,5-pentaol
-
- Inchi： 1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4+,5+,6-,7?
- InChI Key： DSCFFEYYQKSRSV-MVWKSXLKSA-N
- SMILES： O(C)C1[C@@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O
Computed Properties
- Exact Mass: 194.07903816Da
- Monoisotopic Mass: 194.07903816Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 158
- 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: -3.2
- Topological Polar Surface Area: 110?2
1r-Methoxy-cyclohexanpentol-(2c.3t.4c.5t.6c) Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
-
Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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