Cas no 21063-40-1 (methyl 2-oxogluconate)
methyl 2-oxogluconate structure
Product Name:methyl 2-oxogluconate
CAS No:21063-40-1
MF:C7H12O7
MW:208.165983200073
CID:1397818
Update Time:2022-07-25
methyl 2-oxogluconate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-oxogluconate
- D-arabino-2-Hexulosonic acid, methyl ester
- Methyl 2-keto-D-gluconate
- D-arabino-Hexulosonic acid, methyl ester
- methyl D-fructosonate
- D-arabino-2-Hexulosonic acid methyl ester
- Einecs 244-187-9
-
- Inchi： 1S/C7H12O7/c1-14-7(13)6(12)5(11)4(10)3(9)2-8/h3-5,8-11H,2H2,1H3/t3-,4-,5+/m1/s1
- InChI Key： KPHIBLNUVRGOGU-WDCZJNDASA-N
- SMILES： C(OC)(=O)C([C@H]([C@@H]([C@@H](CO)O)O)O)=O
Computed Properties
- Exact Mass: 208.058
- Monoisotopic Mass: 208.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 214
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
Experimental Properties
- Density: 1.532
- Boiling Point: 495.4°C at 760 mmHg
- Flash Point: 204.6°C
- Refractive Index: 1.535
methyl 2-oxogluconate Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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