Cas no 127486-94-6 (Triphenylphosphine oxide hemihydrate)
127486-94-6 structure
Product Name:Triphenylphosphine oxide hemihydrate
CAS No:127486-94-6
MF:C36H32O3P2
MW:574.585011482239
CID:2769371
PubChem ID:19097533
Update Time:2025-04-21
Triphenylphosphine oxide hemihydrate Chemical and Physical Properties
Names and Identifiers
-
- triphenylphosphine oxide hemihydrate
- Oxo(triphenyl)-lambda~5~-phosphane--water (2/1)
- DTXSID10598044
- 127486-94-6
- SCHEMBL9425396
- Triphenylphosphine oxide hemihydrate
-
- Inchi： 1S/2C18H15OP.H2O/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2*1-15H;1H2
- InChI Key： GTEUZTYCMFLEND-UHFFFAOYSA-N
- SMILES： P(C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)=O.P(C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)=O.O
Computed Properties
- Exact Mass: 574.18266887Da
- Monoisotopic Mass: 574.18266887Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 41
- Rotatable Bond Count: 6
- Complexity: 281
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 35.1?2
Triphenylphosphine oxide hemihydrate Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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