Cas no 213467-54-0 (4-Pyrimidinecarboxylicacid, 3,4,5,6-tetrahydro-5-hydroxy-2-methyl-, (4S)-)
213467-54-0 structure
Product Name:4-Pyrimidinecarboxylicacid, 3,4,5,6-tetrahydro-5-hydroxy-2-methyl-, (4S)-
CAS No:213467-54-0
MF:C6H10N2O3
MW:158.155201435089
CID:242688
PubChem ID:9793893
Update Time:2025-04-19
4-Pyrimidinecarboxylicacid, 3,4,5,6-tetrahydro-5-hydroxy-2-methyl-, (4S)- Chemical and Physical Properties
Names and Identifiers
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- 4-Pyrimidinecarboxylicacid, 3,4,5,6-tetrahydro-5-hydroxy-2-methyl-, (4S)-
- 4-Pyrimidinecarboxylicacid, 1,4,5,6-tetrahydro-5-hydroxy-2-methyl-, (4S)- (9CI)
- DTXSID50430737
- (4S)-5-Hydroxy-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
- 213467-54-0
-
- Inchi： 1S/C6H10N2O3/c1-3-7-2-4(9)5(8-3)6(10)11/h4-5,9H,2H2,1H3,(H,7,8)(H,10,11)/t4?,5-/m0/s1
- InChI Key： KIIBBJKLKFTNQO-AKGZTFGVSA-N
- SMILES： OC1CN=C(C)N[C@@H]1C(=O)O
Computed Properties
- Exact Mass: 158.0692
- Monoisotopic Mass: 158.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 202
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.2
- Topological Polar Surface Area: 81.9?2
Experimental Properties
- PSA: 81.92
4-Pyrimidinecarboxylicacid, 3,4,5,6-tetrahydro-5-hydroxy-2-methyl-, (4S)- Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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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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3. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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