Cas no 919360-77-3 (5-(Cyanomethyl)-2'-deoxycytidine)
919360-77-3 structure
Product Name:5-(Cyanomethyl)-2'-deoxycytidine
CAS No:919360-77-3
MF:C11H14N4O4
MW:266.253262042999
CID:763389
Update Time:2023-08-03
5-(Cyanomethyl)-2'-deoxycytidine Chemical and Physical Properties
Names and Identifiers
-
- Cytidine, 5-(cyanomethyl)-2'-deoxy-
- 2-[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]acetonitrile
- 5-(Cyanomethyl)-2'-deoxycytidine
-
- Inchi: 1S/C11H14N4O4/c12-2-1-6-4-15(11(18)14-10(6)13)9-3-7(17)8(5-16)19-9/h4,7-9,16-17H,1,3,5H2,(H2,13,14,18)/t7-,8+,9+/m0/s1
- InChI Key: ADTUYFILUJEVOR-DJLDLDEBSA-N
- SMILES: O1[C@H](CO)[C@H](C[C@@H]1N1C(N=C(C(CC#N)=C1)N)=O)O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 492
- XLogP3: -2.1
- Topological Polar Surface Area: 132
5-(Cyanomethyl)-2'-deoxycytidine Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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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
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