Cas no 799260-82-5 (1,2,3,4-Butanetetrol,1-(1-methyl-1H-pyrazol-4-yl)-, (1R,2S,3R)-)
799260-82-5 structure
Product Name:1,2,3,4-Butanetetrol,1-(1-methyl-1H-pyrazol-4-yl)-, (1R,2S,3R)-
CAS No:799260-82-5
MF:C8H14N2O4
MW:202.207762241364
CID:556786
PubChem ID:45096798
Update Time:2025-04-19
1,2,3,4-Butanetetrol,1-(1-methyl-1H-pyrazol-4-yl)-, (1R,2S,3R)- Chemical and Physical Properties
Names and Identifiers
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- 1,2,3,4-Butanetetrol,1-(1-methyl-1H-pyrazol-4-yl)-, (1R,2S,3R)-
- 1,2,3,4-Butanetetrol,1-(1-methyl-1H-pyrazol-4-yl)-,(1R,2S,3R)-(9CI)
- 799260-82-5
- (1R,2S,3R)-1-(1-Methyl-1H-pyrazol-4-yl)butane-1,2,3,4-tetraol
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- Inchi： 1S/C8H14N2O4/c1-10-3-5(2-9-10)7(13)8(14)6(12)4-11/h2-3,6-8,11-14H,4H2,1H3/t6-,7-,8-/m1/s1
- InChI Key： KFUKMKKKBBNUCT-BWZBUEFSSA-N
- SMILES： O[C@H]([C@@H](CO)O)[C@@H](C1C=NN(C)C=1)O
Computed Properties
- Exact Mass: 202.095
- Monoisotopic Mass: 202.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 181
- 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
- Topological Polar Surface Area: 98.7A^2
- XLogP3: -2.5
1,2,3,4-Butanetetrol,1-(1-methyl-1H-pyrazol-4-yl)-, (1R,2S,3R)- Related Literature
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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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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