Cas no 114155-98-5 (2-Butanone, 3-hydroxy-4-(phosphonooxy)-)
114155-98-5 structure
Product Name:2-Butanone, 3-hydroxy-4-(phosphonooxy)-
2-Butanone, 3-hydroxy-4-(phosphonooxy)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone, 3-hydroxy-4-(phosphonooxy)-
- (2-hydroxy-3-oxobutyl) dihydrogen phosphate
- 1-deoxy-L-glycero-tetrulose 4-phosphate
- SCHEMBL704407
- DTXSID60274280
- CHEBI:50606
- 114155-98-5
- OKYHYXLCTGGOLM-UHFFFAOYSA-N
- 2-hydroxy-3-oxobutyl dihydrogen phosphate
- Q27122139
- NCIOpen2_001760
- 2-hydroxy-3-oxobutyl phosphate
- L-3,4-dihydroxybutan-2-one 4-phosphate
- 3,4-Dihydroxy-2-butanone 4-phosphate
-
- Inchi： 1S/C4H9O6P/c1-3(5)4(6)2-10-11(7,8)9/h4,6H,2H2,1H3,(H2,7,8,9)
- InChI Key： OKYHYXLCTGGOLM-UHFFFAOYSA-N
- SMILES： P(=O)(O)(O)OCC(C(C)=O)O
Computed Properties
- Exact Mass: 184.01367
- Monoisotopic Mass: 184.01367500g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 183
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.5
- Topological Polar Surface Area: 104?2
Experimental Properties
- PSA: 104.06
2-Butanone, 3-hydroxy-4-(phosphonooxy)- Related Literature
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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