Cas no 130753-02-5 (5'-Thymidylic acid,3'-O-ethyl-, dipropyl ester (9CI))
130753-02-5 structure
Product Name:5'-Thymidylic acid,3'-O-ethyl-, dipropyl ester (9CI)
CAS No:130753-02-5
MF:C18H31N2O8P
MW:434.42110657692
CID:150407
PubChem ID:452561
Update Time:2025-04-19
5'-Thymidylic acid,3'-O-ethyl-, dipropyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- 5'-Thymidylic acid,3'-O-ethyl-, dipropyl ester (9CI)
- [(2R,3S,5R)-3-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dipropyl phosphate
- 3'-O-ethylthymidine-5'-dipropyl phosphate
- 5'-Thymidylic acid, 3'-O-ethyl-, dipropyl ester
- DTXSID50156723
- [(2R,3S,5R)-3-ethoxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dipropyl phosphate
- 5'-diPrPO4-3'-OEtT
- 130753-02-5
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- Inchi： 1S/C18H31N2O8P/c1-5-8-25-29(23,26-9-6-2)27-12-15-14(24-7-3)10-16(28-15)20-11-13(4)17(21)19-18(20)22/h11,14-16H,5-10,12H2,1-4H3,(H,19,21,22)/t14-,15+,16+/m0/s1
- InChI Key： APYDNNXEQSEVHZ-ARFHVFGLSA-N
- SMILES： P(=O)(OCCC)(OCCC)OC[C@@H]1[C@H](C[C@H](N2C(NC(C(C)=C2)=O)=O)O1)OCC
Computed Properties
- Exact Mass: 434.18193
- Monoisotopic Mass: 434.18180295g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 29
- Rotatable Bond Count: 12
- Complexity: 644
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 113?2
Experimental Properties
- PSA: 112.63
5'-Thymidylic acid,3'-O-ethyl-, dipropyl ester (9CI) Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
130753-02-5 (5'-Thymidylic acid,3'-O-ethyl-, dipropyl ester (9CI)) Related Products
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