Cas no 144054-79-5 (1,3-Dioxolane-4,5-diol, 2-(dihydroxymethyl)-)
144054-79-5 structure
Product Name:1,3-Dioxolane-4,5-diol, 2-(dihydroxymethyl)-
CAS No:144054-79-5
MF:C4H8O6
MW:152.102722167969
CID:108592
PubChem ID:59163680
Update Time:2025-04-18
1,3-Dioxolane-4,5-diol, 2-(dihydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane-4,5-diol, 2-(dihydroxymethyl)-
- (4S,5S)-2-(dihydroxymethyl)-1,3-dioxolane-4,5-diol
- SCHEMBL1613310
- 1,3-DIOXOLANE-4,5-DIOL,2-(DIHYDROXYMETHYL)-
- 144054-79-5
-
- Inchi： 1S/C4H8O6/c5-1(6)4-9-2(7)3(8)10-4/h1-8H
- InChI Key： YQHKPULJSWMBDF-UHFFFAOYSA-N
- SMILES： O1C(C(O)OC1C(O)O)O
Computed Properties
- Exact Mass: 152.03204
- Monoisotopic Mass: 152.03208797g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 164
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 99.4?2
Experimental Properties
- PSA: 99.38
1,3-Dioxolane-4,5-diol, 2-(dihydroxymethyl)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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