Cas no 2476-56-4 (3'-Thymidylic acid,thymidylyl-(3'®5')-)
2476-56-4 structure
Product Name:3'-Thymidylic acid,thymidylyl-(3'®5')-
CAS No:2476-56-4
MF:C20H28N4O15P2
MW:626.401647567749
CID:261627
PubChem ID:164970
Update Time:2025-04-19
3'-Thymidylic acid,thymidylyl-(3'®5')- Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-hydroxyphenyl)-3-(methylamino)propan-1-one,hydrochloride
- 2476-56-4
- d(Ptpt)
- Thymidylyl-(3'-5')-3'-thymidylic acid
- 3'-Thymidylic acid,thymidylyl-(3'®5')-
-
- Inchi： 1S/C20H28N4O15P2/c1-9-5-23(19(28)21-17(9)26)15-3-11(13(7-25)36-15)39-41(33,34)35-8-14-12(38-40(30,31)32)4-16(37-14)24-6-10(2)18(27)22-20(24)29/h5-6,11-16,25H,3-4,7-8H2,1-2H3,(H,33,34)(H,21,26,28)(H,22,27,29)(H2,30,31,32)/t11-,12-,13+,14+,15-,16+/m0/s1
- InChI Key： LPGUBBCKPSUVTG-UGYDUONOSA-N
- SMILES： P(=O)(O)(OC[C@@H]1[C@H](C[C@H](N2C(NC(C(C)=C2)=O)=O)O1)OP(=O)(O)O)O[C@@H]1[C@@H](CO)O[C@@H](C1)N1C(NC(C(C)=C1)=O)=O
Computed Properties
- Exact Mass: 626.102639
- Monoisotopic Mass: 626.102639
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 162
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 260
- Surface Charge: 0
- Tautomer Count: 7
- XLogP3: nothing
Experimental Properties
- Density: 1.75
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.645
3'-Thymidylic acid,thymidylyl-(3'®5')- Related Literature
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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