Cas no 80994-71-4 (myo-Inositol-2-C-t(9CI))
myo-Inositol-2-C-t(9CI) structure
Product Name:myo-Inositol-2-C-t(9CI)
CAS No:80994-71-4
MF:C6H12O6
MW:182.163992166519
CID:721015
Update Time:2024-02-04
myo-Inositol-2-C-t(9CI) Chemical and Physical Properties
Names and Identifiers
-
- myo-Inositol-2-C-t(9CI)
- INOSITOL, MYO-, [2-3H(N)]
- MYO-[2-3H]INOSITOL
- MYO-INOSITOL-(2-3H)
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- Inchi： 1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-/i1T/t1-,2+,3-,4-,5+,6+
- InChI Key： CDAISMWEOUEBRE-JCESQOAASA-N
- SMILES： [C@]1([3H])(O)[C@H](O)[C@H]([C@H](O)[C@@H](O)[C@@H]1O)O
Computed Properties
- Exact Mass: 182.072
- Monoisotopic Mass: 182.072
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 104
- 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: 121A^2
Experimental Properties
- Flash Point: 19?°C
- PSA: 121.38000
- LogP: -3.83460
myo-Inositol-2-C-t(9CI) Security Information
- Hazardous Material transportation number：UN 2910 7
- WGK Germany：1
- Hazard Category Code： 11-36/37/38
- Safety Instruction： 16-26-36
-
Hazardous Material Identification：
- Storage Condition：?20°C
myo-Inositol-2-C-t(9CI) Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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