Cas no 142937-55-1 (2,3-Pentanedione,4,5-dihydroxy-)
142937-55-1 structure
Product Name:2,3-Pentanedione,4,5-dihydroxy-
CAS No:142937-55-1
MF:C5H8O4
MW:132.114622116089
CID:108010
PubChem ID:443434
Update Time:2025-04-19
2,3-Pentanedione,4,5-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Pentanedione,4,5-dihydroxy-
- LIMONIN GLUCOSIDE
- 2,3-Pentanedione, 4,5-dihydroxy-
- 142937-55-1
- 4,5-dihydroxypentane-2,3-dione
- KZE5WQK34F
- CHEMBL247773
- HY-156043
- 2,3-Pentanedione, 4,5-dihydroxy- (9CI)
- DTXSID801306744
- 2,3-Pentanedione, 4,5-dihydroxy-, (4S)- (9CI)
- 4,5-Dihydroxy-2,3-pentanedione
- 1-Deoxypento-2,4-diulose
- 1-Deoxypentosone
- SCHEMBL355798
- CS-0891560
- UNII-KZE5WQK34F
- 2,3-Pentanedione,4,5-dihydroxy-(9ci)
- (S)-4,5-Dihydroxy-2,3-pentandione (DPD / AI-2)
- DB-269279
- SCCL-10065?
- FD180770
- EX-A11539
-
- Inchi： 1S/C5H8O4/c1-3(7)5(9)4(8)2-6/h4,6,8H,2H2,1H3
- InChI Key： UYTRITJAZOPLCZ-UHFFFAOYSA-N
- SMILES： OC(C(C(C)=O)=O)CO
Computed Properties
- Exact Mass: 132.04224
- Monoisotopic Mass: 132.042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 129
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.7
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
2,3-Pentanedione,4,5-dihydroxy- Related Literature
-
Daichi Nakamura,Yusuke Sasano,Yoshiharu Iwabuchi Org. Biomol. Chem. 2019 17 3581
-
Antonio Díaz,Emiliano Martínez,Leonardo Puerta,Darío Méndez,Erika Rodríguez,Luis Fang,Stanislaw Wnuk,Ricardo Vivas-Reyes New J. Chem. 2014 38 1235
-
Ravindra Pal Singh Med. Chem. Commun. 2015 6 259
-
Hu Zhu,Hui-Jun Liu,Shou-Jiao Ning,Yu-Li Gao Mol. BioSyst. 2011 7 3164
-
Xihong Zhao,Fenghuan Zhao,Jun Wang,Nanjing Zhong RSC Adv. 2017 7 36670
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