Cas no 23887-12-9 (D-pinitol)
D-pinitol structure
Product Name:D-pinitol
CAS No:23887-12-9
MF:C7H14O6
MW:194.182463169098
CID:2042071
Update Time:2025-04-21
D-pinitol Chemical and Physical Properties
Names and Identifiers
-
- D-pinitol
- Lucidol
- Sequoyit
- Sequoyitol (5-O-Methyl-myo-inosit)
-
- Inchi： 1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3
- InChI Key： DSCFFEYYQKSRSV-UHFFFAOYSA-N
- SMILES： COC1C(O)C(O)C(O)C(O)C1O
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
Experimental Properties
- Density: 1.56
- Boiling Point: 317.2°Cat760mmHg
- Flash Point: 145.6°C
- Refractive Index: 1.588
- PSA: 110.38000
- LogP: -3.18050
D-pinitol Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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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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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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