Cas no 138668-17-4 (2,4,5-trideoxy-2-nitro-D-erythro-pentitol)
138668-17-4 structure
Product Name:2,4,5-trideoxy-2-nitro-D-erythro-pentitol
CAS No:138668-17-4
MF:C5H11NO4
MW:149.145141839981
CID:1254624
PubChem ID:6451261
Update Time:2025-04-20
2,4,5-trideoxy-2-nitro-D-erythro-pentitol Chemical and Physical Properties
Names and Identifiers
-
- 2,4,5-trideoxy-2-nitro-D-erythro-pentitol
- (2S,3R)-2-nitropentane-1,3-diol
- DTXSID70160746
- 138668-17-4
- 1,3-Pentanediol, 2-nitro-, (R*,S*)-
-
- Inchi： 1S/C5H11NO4/c1-2-5(8)4(3-7)6(9)10/h4-5,7-8H,2-3H2,1H3/t4-,5+/m0/s1
- InChI Key： WEMWRQSEKYYLOZ-CRCLSJGQSA-N
- SMILES： O[C@H](CC)[C@H](CO)[N+](=O)[O-]
Computed Properties
- Exact Mass: 149.06883
- Monoisotopic Mass: 149.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 111
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.3
- Topological Polar Surface Area: 86.3?2
Experimental Properties
- PSA: 83.6
2,4,5-trideoxy-2-nitro-D-erythro-pentitol Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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