Cas no 226988-04-1 (4,5-Pyridazinediol,hexahydro-3-(hydroxymethyl)-, (3S,4S,5S)-)
226988-04-1 structure
Product Name:4,5-Pyridazinediol,hexahydro-3-(hydroxymethyl)-, (3S,4S,5S)-
CAS No:226988-04-1
MF:C5H12N2O3
MW:148.160381317139
CID:244903
PubChem ID:10796896
Update Time:2025-04-19
4,5-Pyridazinediol,hexahydro-3-(hydroxymethyl)-, (3S,4S,5S)- Chemical and Physical Properties
Names and Identifiers
-
- 4,5-Pyridazinediol,hexahydro-3-(hydroxymethyl)-, (3S,4S,5S)-
- 4,5-Pyridazinediol,hexahydro-3-(hydroxymethyl)-,(3S,4S,5S)-(9CI)
- (3S,4S,5S)-3-(Hydroxymethyl)hexahydropyridazine-4,5-diol
- 226988-04-1
-
- Inchi： 1S/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2/t3-,4-,5-/m0/s1
- InChI Key： PPPMSBCQTLJPKM-YUPRTTJUSA-N
- SMILES： O[C@@H]1[C@H](CNN[C@H]1CO)O
Computed Properties
- Exact Mass: 148.08486
- Monoisotopic Mass: 148.08479225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 111
- 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
- XLogP3: -2
- Topological Polar Surface Area: 84.8?2
Experimental Properties
- PSA: 84.75
4,5-Pyridazinediol,hexahydro-3-(hydroxymethyl)-, (3S,4S,5S)- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
226988-04-1 (4,5-Pyridazinediol,hexahydro-3-(hydroxymethyl)-, (3S,4S,5S)-) Related Products
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