Cas no 3564-07-6 (D-chiro-Inositol,2-O-methyl- (9CI))
3564-07-6 structure
Product Name:D-chiro-Inositol,2-O-methyl- (9CI)
D-chiro-Inositol,2-O-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- D-chiro-Inositol,2-O-methyl- (9CI)
- Inositol,2-O-methyl-, D-chiro- (8CI); 2-O-Methyl-D-chiro-inositol; Caesalpinitol; D-Quebrachitol; Quebrachitol, D-
- FT-0625606
- DTXSID80957028
- 1L-2-O-methyl-chiro-inositol
- D-chiro-Inositol, 2-O-methyl-
- CHEMBL501109
- Quebrachitol, L-
- SCHEMBL240345
- Inositol, 2-O-methyl-
- CHEBI:111
- MFCD00021405
- MS-23047
- SCHEMBL22975188
- AKOS027327479
- M02437
- C08257
- DSCFFEYYQKSRSV-FIZWYUIZSA-N
- UNII-9W4JLQ7I4W
- L-chiro-Inositol, 2-O-methyl-
- 9W4JLQ7I4W
- W-203384
- 2B678708-4698-466E-88D8-3443A058E849
- L-Quebrachitol
- Quebrachitol, (-)-
- L-(-)-2-O-Methylinositol
- 2-O-Methyl-L-chiro-inositol
- 642-38-6
- NSC-131046
- CHEBI:170050
- DTXSID601029528
- NSC-26254
- Q7269871
- Quebrachit
- (-)-Quebrachitol
- Inositol, 2-O-methyl-, L-chiro-
- (1R,2S,3S,4S,5R,6R)-6-Methoxycyclohexane-1,2,3,4,5-pentaol
- 6-methoxycyclohexane-1,2,3,4,5-pentol
- Brahol
- Quebrachitol
- CS-0022555
- 3564-07-6
- (1R,2S,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol
- HY-N2375
- 2-O-Methyl-chiro-inositol
- s3223
- Pinitol TMS
- (1R,2S,3S,4S,5R,6R)-6-methoxycyclohexane-1,2,3,4,5-pentol
- A867922
-
- 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?/m0/s1
- InChI Key： DSCFFEYYQKSRSV-MBXCVVGISA-N
- SMILES： O(C)C1[C@@H]([C@H](C([C@@H]([C@H]1O)O)O)O)O
Computed Properties
- Exact Mass: 194.079
- Monoisotopic Mass: 194.079
- 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
- Topological Polar Surface Area: 110A^2
- XLogP3: -3.2
Experimental Properties
- Density: 1.56
- Melting Point: 189 - 192 C
- Boiling Point: 317.2 °C at 760 mmHg
- Flash Point: 145.6 °C
- Refractive Index: 1.588
- PSA: 110.38000
- LogP: -3.18050
D-chiro-Inositol,2-O-methyl- (9CI) Related Literature
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Maoying Zhang,Xinjie Liang,Pengcheng Cai,Qixun Feng,Yongsong Chen,Xiaoxi Yu,Kuo Zhang,Xuefei Bao,Guoliang Chen New J. Chem. 2023 47 13387
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2. A formal total synthesis of (–)-lsoavenaciolide from L-quebrachitolNoritaka Chida,Takahiko Tobe,Masami Suwama,Masami Ohtsuka,Seiichiro Ogawa J. Chem. Soc. Chem. Commun. 1990 994
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Takahiko Akiyama,Mikiko Hara,Kohei Fuchibe,Shigeru Sakamoto,Kentaro Yamaguchi chiro-inositol and its catalytic activity on the asymmetric Michael addition. Takahiko Akiyama Mikiko Hara Kohei Fuchibe Shigeru Sakamoto Kentaro Yamaguchi Chem. Commun. 2003 1734
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Noritaka Chida,Mitsukane Yoshinaga,Takahiko Tobe,Seiichiro Ogawa l-quebrachitol as a chiral building block. Noritaka Chida Mitsukane Yoshinaga Takahiko Tobe Seiichiro Ogawa Chem. Commun. 1997 1043
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5. Formal total syntheses of (–)-isoavenaciolide and (–)-ethisolide from L-quebrachitolNoritaka Chida,Takahiko Tobe,Masami Suwama,Masami Ohtsuka,Seiichiro Ogawa J. Chem. Soc. Perkin Trans. 1 1992 2667
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