Cas no 1758-51-6 (Butanal,2,3,4-trihydroxy-, (2R,3R)-rel-)
1758-51-6 structure
Product Name:Butanal,2,3,4-trihydroxy-, (2R,3R)-rel-
Butanal,2,3,4-trihydroxy-, (2R,3R)-rel- Chemical and Physical Properties
Names and Identifiers
-
- Butanal,2,3,4-trihydroxy-, (2R,3R)-rel-
- (2R,3R)-2,3,4-trihydroxybutanal
- erythrose
- (R*,R*)-2,3,4-Trihydroxybutanal
- Butanal, 2,3,4-trihydroxy-, (R*,R*)-
- Threose
- Erythrose, D-
- T72661
- DTXSID601318240
- CS-0066906
- D-ERYTHROSE (CA. 70% IN WATER)
- 1758-51-6
- Butanal,2,3,4-trihydroxy-, (2R,3R)-
- A831843
- B1552B3E-262B-4CEF-A0A9-79C534BCEE4E
- D-Erythrose
- CHEBI:27904
- D-ERYTHROSE [MI]
- ERYTHROSE, DL-
- rel-(2R,3R)-2,3,4-Trihydroxybutanal
- DL-Erythrose
- DTXSID201017424
- D-erythro-tetrose
- X3EI0WE8Q4
- 583-50-6
- D-Erythrose (w/v = 10 mg/ml)
- Butanal, 2,3,4-trihydroxy-, (2R,3R)-
- EINECS 209-505-2
- 210230-59-4
- D-(-)-Erythrose
- d(-)-erythrose
- MFCD00006970
- Butanal, 2,3,4-trihydroxy-, (2R,3R)-rel-
- UNII-756EZ12FT6
- 756EZ12FT6
- HY-116956
- UNII-X3EI0WE8Q4
- AKOS016011079
- NS00079893
- Q423225
- (+/-)-Erythrose
- SCHEMBL42624
-
- Inchi： 1S/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2/t3-,4+/m0/s1
- InChI Key： YTBSYETUWUMLBZ-IUYQGCFVSA-N
- SMILES： O[C@H](CO)[C@H](C=O)O
Computed Properties
- Exact Mass: 120.042259
- Monoisotopic Mass: 120.042259
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 72.4
- 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
- Topological Polar Surface Area: 77.8
- XLogP3: -2.2
Experimental Properties
- Density: 1.0500 (rough estimate)
- Boiling Point: 144.07°C (rough estimate)
- Refractive Index: 1.4502 (estimate)
Butanal,2,3,4-trihydroxy-, (2R,3R)-rel- Related Literature
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
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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