Cas no 66270-34-6 (Cytidine, 2'-deoxy-5-(1E)-1-propenyl-)
66270-34-6 structure
Product Name:Cytidine, 2'-deoxy-5-(1E)-1-propenyl-
CAS No:66270-34-6
MF:C12H17N3O4
MW:267.281082868576
CID:1706688
Update Time:2024-08-31
Cytidine, 2'-deoxy-5-(1E)-1-propenyl- Chemical and Physical Properties
Names and Identifiers
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- Cytidine, 2'-deoxy-5-(1E)-1-propenyl-
- Cytidine, 2'-deoxy-5-(1E)-1-propenyl- (9CI)
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- Inchi： 1S/C12H17N3O4/c1-2-3-7-5-15(12(18)14-11(7)13)10-4-8(17)9(6-16)19-10/h2-3,5,8-10,16-17H,4,6H2,1H3,(H2,13,14,18)/b3-2+/t8-,9+,10+/m0/s1
- InChI Key： KATMTGGBSHKNTC-YJCWOPNRSA-N
- SMILES： OC[C@H]1O[C@@H](N2C=C(/C=C/C)C(N)=NC2=O)C[C@@H]1O
Computed Properties
- Exact Mass: 267.12201
Experimental Properties
- Density: 1.49±0.1 g/cm3(Predicted)
- Boiling Point: 522.2±60.0 °C(Predicted)
- PSA: 108.38
- pka: 14.03±0.60(Predicted)
Cytidine, 2'-deoxy-5-(1E)-1-propenyl- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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