Cas no 64044-31-1 (1H-Imidazole-4-carboxamide,5-amino-1-b-D-ribopyranosyl- (9CI))
64044-31-1 structure
Product Name:1H-Imidazole-4-carboxamide,5-amino-1-b-D-ribopyranosyl- (9CI)
CAS No:64044-31-1
MF:C9H14N4O5
MW:258.231261730194
CID:518966
PubChem ID:317343
Update Time:2025-04-19
1H-Imidazole-4-carboxamide,5-amino-1-b-D-ribopyranosyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-4-carboxamide,5-amino-1-b-D-ribopyranosyl- (9CI)
- 5-amino-1-(3,4,5-trihydroxyoxan-2-yl)imidazole-4-carboxamide
- AC1NTIN0
- NSC127835
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- Inchi： 1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(14)1-18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)
- InChI Key： RRAQCTKVCIHPDX-UHFFFAOYSA-N
- SMILES： O1CC(C(C(C1N1C=NC(C(N)=O)=C1N)O)O)O
Computed Properties
- Exact Mass: 258.09652
- Monoisotopic Mass: 258.096
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 330
- 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
- XLogP3: -2.7
- Topological Polar Surface Area: 157?2
Experimental Properties
- Color/Form: 白色 至灰白色 自由流動結(jié)晶粉末
- Density: 2.06
- Boiling Point: 686.4°Cat760mmHg
- Flash Point: 368.9°C
- Refractive Index: 1.821
- PSA: 156.85
- LogP: -1.54280
1H-Imidazole-4-carboxamide,5-amino-1-b-D-ribopyranosyl- (9CI) Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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