Cas no 50271-42-6 ((2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one)
![(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one structure](https://ossimg.kuujia.com/scimg/50500/50271-42-6x500.png)
50271-42-6 structure
Product Name:(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one
CAS No:50271-42-6
MF:C9H12O6
MW:216.187983512878
CID:5689539
PubChem ID:54698727
Update Time:2023-10-12
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one Chemical and Physical Properties
Names and Identifiers
-
- F71088
- SCHEMBL8906006
- 50271-42-6
- (R)-5-((R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)-3,4-DIHYDROXYFURAN-2(5H)-ONE
- D-erythro-Hex-2-enonic acid, 5,6-O-(1-methylethylidene)-, γ-lactone
- 5,6-O-isopropylidene-D-isoascorbic acid
- (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one
-
- Inchi： 1S/C9H12O6/c1-9(2)13-3-4(15-9)7-5(10)6(11)8(12)14-7/h4,7,10-11H,3H2,1-2H3/t4-,7-/m1/s1
- InChI Key： POXUQBFHDHCZAD-CLZZGJSISA-N
- SMILES： O1C(C)(C)OC[C@@H]1[C@@H]1C(=C(C(=O)O1)O)O
Computed Properties
- Exact Mass: 216.06338810g/mol
- Monoisotopic Mass: 216.06338810g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 332
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.3
- Topological Polar Surface Area: 85.2?2
Experimental Properties
- Density: 1.518±0.06 g/cm3(Predicted)
- Melting Point: 202.7-203.5 °C
- Boiling Point: 395.2±42.0 °C(Predicted)
- pka: 3.99±0.10(Predicted)
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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