Cas no 5438-00-6 ( )
structure
Product Name:
CAS No:5438-00-6
MF:C5H11NO4
MW:149.145141839981
CID:940951
PubChem ID:408886
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-amino-5-(hydroxymethyl)oxolane-3,4-diol
- AC1L8VPR
- NSC16531
- NSC-16531
- 5438-00-6
- DTXSID10328287
- SCHEMBL13786381
-
-
- Inchi： 1S/C5H11NO4/c6-5-4(9)3(8)2(1-7)10-5/h2-5,7-9H,1,6H2
- InChI Key： UUSMORJRYZFLSS-UHFFFAOYSA-N
- SMILES： O1C(C(C(C1CO)O)O)N
Computed Properties
- Exact Mass: 149.06883
- Monoisotopic Mass: 149.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 120
- 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
- Topological Polar Surface Area: 95.9A^2
- XLogP3: -2.2
Experimental Properties
- Density: 1.493
- Boiling Point: 380.8°C at 760 mmHg
- Flash Point: 184.1°C
- Refractive Index: 1.575
- PSA: 95.94
- LogP: -1.91560
Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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