Cas no 22144-55-4 ( )
structure
Product Name:
CAS No:22144-55-4
MF:C12H20O6
MW:260.283604621887
CID:912224
PubChem ID:291610
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol
- 2,3-O-cyclohexylidene-myo-inositol
- (3aR,4S,5R,6R,7S,7aS)-Hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol
- NSC156930
- spiro(2,4-dioxabicyclo[4.3.0]nonane-3,1'-cyclohexane)-6,7,8,9-tetrol
- DTXSID40944792
- D-myo-Inositol-2,3-O-cyclohexylidene
- Hexahydrospiro[benzo[d][1,3]dioxole-2,1'-cyclohexane]-4,5,6,7-tetraol
- AKOS025117221
- 22144-55-4
- hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol
- NSC-156930
- 57029-87-5
- AQ-364/41885122
-
-
- Inchi: 1S/C12H20O6/c13-6-7(14)9(16)11-10(8(6)15)17-12(18-11)4-2-1-3-5-12/h6-11,13-16H,1-5H2
- InChI Key: SOONKKMMJCQOLI-UHFFFAOYSA-N
- SMILES: O1C2(CCCCC2)OC2C(C(C(C(C12)O)O)O)O
Computed Properties
- Exact Mass: 260.126
- Monoisotopic Mass: 260.12598835g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 292
- 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: -1.1
- Topological Polar Surface Area: 99.4?2
Experimental Properties
- PSA: 99.38
- LogP: -1.11200
Related Literature
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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