Cas no 13432-39-8 ( )
structure
Product Name:
CAS No:13432-39-8
MF:C11H13N3O4
MW:251.238622426987
CID:900092
Update Time:2026-04-29
Chemical and Physical Properties
Names and Identifiers
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- 2-(hydroxymethyl)-5-imidazo[4,5-b]pyridin-1-yloxolane-3,4-diol
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Computed Properties
- Exact Mass: 251.09069
- Monoisotopic Mass: 251.091
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 306
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
Experimental Properties
- Density: 1.75
- Boiling Point: 576.2°C at 760 mmHg
- Flash Point: 302.3°C
- Refractive Index: 1.774
- PSA: 100.63
- LogP: -0.95720
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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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