Cas no 23559-36-6 (allo-Inositol,1,2-anhydro- (9CI))
23559-36-6 structure
Product Name:allo-Inositol,1,2-anhydro- (9CI)
allo-Inositol,1,2-anhydro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- allo-Inositol,1,2-anhydro- (9CI)
- 7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol
- 1D-1,2-anhydro-myo-inositol
- 1D-conduritol B epoxide
- Conduritol-B-epoxid
- CHEMBL174067
- NSC 55556
- .alpha.-Epoxyconduritol-e
- CHEBI:67235
- Conduritol epoxide
- NSC55556
- FT-0624035
- SCHEMBL613363
- 23559-36-6
- 1,2-Anhydro-3,4,5,6-alloinositol
- NSC-55556
- Q27135708
- DTXSID90859948
-
- Inchi： 1S/C6H10O5/c7-1-2(8)4(10)6-5(11-6)3(1)9/h1-10H
- InChI Key： ZHMWOVGZCINIHW-UHFFFAOYSA-N
- SMILES： O1C2C(C(C(C(C12)O)O)O)O
Computed Properties
- Exact Mass: 162.05300
- Monoisotopic Mass: 162.05282342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 154
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 6
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.7
- Topological Polar Surface Area: 93.4?2
Experimental Properties
- PSA: 93.45000
- LogP: -2.78900
allo-Inositol,1,2-anhydro- (9CI) Related Literature
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
23559-36-6 (allo-Inositol,1,2-anhydro- (9CI)) Related Products
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