Cas no 106750-01-0 (Cyclohexanone,2,3,4-trihydroxy-6-methyl-, (2S,3R,4R,6R)-)
106750-01-0 structure
Product Name:Cyclohexanone,2,3,4-trihydroxy-6-methyl-, (2S,3R,4R,6R)-
CAS No:106750-01-0
MF:C7H12O4
MW:160.167782783508
CID:172170
PubChem ID:552230
Update Time:2025-04-19
Cyclohexanone,2,3,4-trihydroxy-6-methyl-, (2S,3R,4R,6R)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone,2,3,4-trihydroxy-6-methyl-, (2S,3R,4R,6R)-
- 2,3,4-trihydroxy-6-methylcyclohexan-1-one
- 2,3,4-Trihydroxy-6-methylcyclohexanone
- (-)-gabosine B
- (2S,3R,4R)-2,3,4-trihydroxy-6-methylcyclohexan-1-one
- (2S,3R,4R,6R)-2,3,4-trihydroxy-6-methylcyclohexanone
- AC1LB6JK
- ACMC-20brnk
- AG-D-21384
- AGN-PC-004TRL
- CTK4A4744
- ent-gabosine F
- FQFXYFNHFVFHPV-UHFFFAOYSA-N
- SCHEMBL16432911
- DTXSID30338969
- 106750-01-0
- 2,3,4-Trihydroxy-6-methylcyclohexanone #
- Cyclohexanone, 2,3,4-trihydroxy-6-methyl-, [2S-(2.alpha.,3.beta.,4.beta.,6.alpha.)]-
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- Inchi： 1S/C7H12O4/c1-3-2-4(8)6(10)7(11)5(3)9/h3-4,6-8,10-11H,2H2,1H3
- InChI Key： FQFXYFNHFVFHPV-UHFFFAOYSA-N
- SMILES： OC1C(C(C(C(C)C1)=O)O)O
Computed Properties
- Exact Mass: 160.07356
- Monoisotopic Mass: 160.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 168
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 9
- XLogP3: -1.2
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- PSA: 77.76
Cyclohexanone,2,3,4-trihydroxy-6-methyl-, (2S,3R,4R,6R)- Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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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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