Cas no 2945-57-5 (Thymidine,5'-O-phosphonothymidylyl-(3'®5')-thymidylyl-(3'®5')-thymidylyl-(3'®5')-)
2945-57-5 structure
Product Name:Thymidine,5'-O-phosphonothymidylyl-(3'®5')-thymidylyl-(3'®5')-thymidylyl-(3'®5')-
CAS No:2945-57-5
MF:C40H54N8O29P4
MW:1234.78801488876
CID:276544
PubChem ID:448414
Update Time:2025-04-19
Thymidine,5'-O-phosphonothymidylyl-(3'®5')-thymidylyl-(3'®5')-thymidylyl-(3'®5')- Chemical and Physical Properties
Names and Identifiers
-
- 5')-thymidylyl-(3'®
- Tetrathymidylic acid
- DTXSID10183656
- Tetrathymidylate
- 5'-Thymidylic acid, thymidylyl-(5'-3')-thymidylyl-(5'-3')-thymidylyl-(5'-3')-
- 2945-57-5
- Thymidine,5'-O-phosphonothymidylyl-(3'®5')-thymidylyl-(3'®5')-thymidylyl-(3'®5')-
-
- Inchi： 1S/C40H54N8O29P4/c1-17-9-45(37(54)41-33(17)50)29-5-21(49)25(71-29)13-68-79(61,62)76-23-7-31(47-11-19(3)35(52)43-39(47)56)73-27(23)15-70-81(65,66)77-24-8-32(48-12-20(4)36(53)44-40(48)57)74-28(24)16-69-80(63,64)75-22-6-30(72-26(22)14-67-78(58,59)60)46-10-18(2)34(51)42-38(46)55/h9-12,21-32,49H,5-8,13-16H2,1-4H3,(H,61,62)(H,63,64)(H,65,66)(H,41,50,54)(H,42,51,55)(H,43,52,56)(H,44,53,57)(H2,58,59,60)/t21-,22-,23-,24-,25+,26+,27+,28+,29+,30+,31+,32+/m0/s1
- InChI Key： BOAPUABTEVWFHM-SJAYXVESSA-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)OC[C@@H]1[C@H](C[C@H](N2C(NC(C(C)=C2)=O)=O)O1)O)O[C@H]1C[C@H](N2C(NC(C(C)=C2)=O)=O)O[C@@H]1COP(=O)(O)O[C@H]1C[C@H](N2C(NC(C(C)=C2)=O)=O)O[C@@H]1COP(=O)(O)O
Computed Properties
- Exact Mass: 1234.195
- Monoisotopic Mass: 1234.195
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 29
- Heavy Atom Count: 81
- Rotatable Bond Count: 22
- Complexity: 2940
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 12
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -7.4
- Topological Polar Surface Area: 489?2
Experimental Properties
- Density: 1.8
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.67
Thymidine,5'-O-phosphonothymidylyl-(3'®5')-thymidylyl-(3'®5')-thymidylyl-(3'®5')- Related Literature
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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