Cas no 17453-91-7 (Propanal, 2,3-bis(phosphonooxy)-)
17453-91-7 structure
Product Name:Propanal, 2,3-bis(phosphonooxy)-
CAS No:17453-91-7
MF:C3H8O9P2
MW:250.03774356842
CID:96244
PubChem ID:54215810
Update Time:2025-04-19
Propanal, 2,3-bis(phosphonooxy)- Chemical and Physical Properties
Names and Identifiers
-
- Propanal, 2,3-bis(phosphonooxy)-
- (1-oxo-3-phosphonooxypropan-2-yl) dihydrogen phosphate
- SCHEMBL9545220
- DTXSID20709821
- 17453-91-7
- Diphosphoglycerinaldehyd
- 3-Oxopropane-1,2-diyl bis[dihydrogen (phosphate)]
-
- Inchi： 1S/C3H8O9P2/c4-1-3(12-14(8,9)10)2-11-13(5,6)7/h1,3H,2H2,(H2,5,6,7)(H2,8,9,10)
- InChI Key： PZCHTJOKDMKJHV-UHFFFAOYSA-N
- SMILES： P(=O)(O)(O)OC(C=O)COP(=O)(O)O
Computed Properties
- Exact Mass: 249.96434
- Monoisotopic Mass: 249.964
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 274
- 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
- Topological Polar Surface Area: 151A^2
- XLogP3: -3.8
Experimental Properties
- PSA: 150.59
- LogP: -1.22750
Propanal, 2,3-bis(phosphonooxy)- Related Literature
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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