Cas no 130753-03-6 (5'-Thymidylic acid,3'-O-ethyl-, dibutyl ester (9CI))
130753-03-6 structure
Product Name:5'-Thymidylic acid,3'-O-ethyl-, dibutyl ester (9CI)
CAS No:130753-03-6
MF:C20H35N2O8P
MW:462.474267244339
CID:161943
PubChem ID:452562
Update Time:2025-04-19
5'-Thymidylic acid,3'-O-ethyl-, dibutyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 5'-Thymidylic acid,3'-O-ethyl-, dibutyl ester (9CI)
- dibutyl [(2R,3S,5R)-3-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
- DTXSID10156724
- 5'-diBuPO4-3'-OEtT
- dibutyl [(2R,3S,5R)-3-ethoxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl phosphate
- 3'-O-ethylthymidine-5'-dibutyl phosphate
- 130753-03-6
- 5'-Thymidylic acid, 3'-O-ethyl-, dibutyl ester
-
- Inchi： 1S/C20H35N2O8P/c1-5-8-10-27-31(25,28-11-9-6-2)29-14-17-16(26-7-3)12-18(30-17)22-13-15(4)19(23)21-20(22)24/h13,16-18H,5-12,14H2,1-4H3,(H,21,23,24)/t16-,17+,18+/m0/s1
- InChI Key： GQEGNAKXYDGYHG-RCCFBDPRSA-N
- SMILES： P(=O)(OCCCC)(OCCCC)OC[C@@H]1[C@H](C[C@H](N2C(NC(C(C)=C2)=O)=O)O1)OCC
Computed Properties
- Exact Mass: 462.21325
- Monoisotopic Mass: 462.213
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 31
- Rotatable Bond Count: 14
- Complexity: 672
- 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: 2.1
- Topological Polar Surface Area: 113?2
Experimental Properties
- Density: 1.22
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.511
- PSA: 112.63
- LogP: 3.70800
5'-Thymidylic acid,3'-O-ethyl-, dibutyl ester (9CI) Related Literature
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
130753-03-6 (5'-Thymidylic acid,3'-O-ethyl-, dibutyl ester (9CI)) Related Products
- 365-07-1(Thymidine-5'-monophosphoric acid)
- 1969-54-6(Thymidylyl-3'-5'-thymidine)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
Recommended suppliers
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
NewCan Biotech Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Yunnanjiuzhen
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
