Cas no 125473-29-2 (D-erythro-Pentitol, 3,4-anhydro-1,2-dideoxy-2-methyl- (9CI))
125473-29-2 structure
Product Name:D-erythro-Pentitol, 3,4-anhydro-1,2-dideoxy-2-methyl- (9CI)
CAS No:125473-29-2
MF:C6H12O2
MW:116.158282279968
CID:896926
PubChem ID:13260750
Update Time:2025-04-19
D-erythro-Pentitol, 3,4-anhydro-1,2-dideoxy-2-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
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- D-erythro-Pentitol, 3,4-anhydro-1,2-dideoxy-2-methyl- (9CI)
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- Inchi： 1S/C6H12O2/c1-4(2)6-5(3-7)8-6/h4-7H,3H2,1-2H3
- InChI Key： MRGITZIKRXYSEO-UHFFFAOYSA-N
- SMILES： O1C(CO)C1C(C)C
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 116.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 80.6
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 32.8?2
Experimental Properties
- PSA: 52.54
D-erythro-Pentitol, 3,4-anhydro-1,2-dideoxy-2-methyl- (9CI) Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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