Cas no 57099-40-8 (Prednisone phosphate)
Prednisone phosphate structure
Product Name:Prednisone phosphate
CAS No:57099-40-8
MF:C21H27O8P
MW:438.408047914505
CID:2190780
PubChem ID:9845968
Update Time:2025-04-21
Prednisone phosphate Chemical and Physical Properties
Names and Identifiers
-
- Prednisone phosphate
- 17-hydroxy-21-phosphonooxy-pregna-1,4-diene-3,11,20-trione
- 57099-40-8
- Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-, 21-phosphate
- Pregna-1,4-diene-3,11,20-trione, 17-hydroxy-21-(phosphonooxy)-
- YY6F8K37SB
- SCHEMBL1930142
-
- Inchi： 1S/C21H27O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h5,7,9,14-15,18,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,18+,19-,20-,21-/m0/s1
- InChI Key： YVKDMGLKLAHTOR-ZPOLXVRWSA-N
- SMILES： P(=O)(O)(O)OCC([C@]1(CC[C@H]2[C@@H]3CCC4=CC(C=C[C@]4(C)[C@H]3C(C[C@@]21C)=O)=O)O)=O
Computed Properties
- Exact Mass: 438.14435481Da
- Monoisotopic Mass: 438.14435481Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 30
- Rotatable Bond Count: 4
- Complexity: 931
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.2
- Topological Polar Surface Area: 138?2
Prednisone phosphate Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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