Cas no 117340-75-7 (5'-Cytidylic acid,5-butyl-, diammonium salt (9CI))
117340-75-7 structure
Product Name:5'-Cytidylic acid,5-butyl-, diammonium salt (9CI)
CAS No:117340-75-7
MF:C13H22N3O8P
MW:379.302844524384
CID:183271
PubChem ID:512629
Update Time:2025-04-19
5'-Cytidylic acid,5-butyl-, diammonium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 5'-Cytidylic acid,5-butyl-, diammonium salt (9CI)
- [(2R,3S,4R,5R)-5-(4-amino-5-butyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
- [(2R,3S,4R,5R)-5-(4-amino-5-butyl-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
- DTXSID00151763
- 5-n-Butylcytidine 5'-monophosphate
- 117340-75-7
-
- Inchi： 1S/C13H22N3O8P/c1-2-3-4-7-5-16(13(19)15-11(7)14)12-10(18)9(17)8(24-12)6-23-25(20,21)22/h5,8-10,12,17-18H,2-4,6H2,1H3,(H2,14,15,19)(H2,20,21,22)/t8-,9-,10-,12-/m1/s1
- InChI Key： SBMCVKLRAARGNH-DNRKLUKYSA-N
- SMILES： P(=O)(O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C(N=C(C(CCCC)=C2)N)=O)O1)O)O
Computed Properties
- Exact Mass: 379.11456
- Monoisotopic Mass: 379.114451
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 25
- Rotatable Bond Count: 7
- Complexity: 618
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _2.1
- Topological Polar Surface Area: 175
Experimental Properties
- Density: 1.77
- Boiling Point: 663.7°Cat760mmHg
- Flash Point: 355.2°C
- Refractive Index: 1.682
- PSA: 175.14
- LogP: -0.76100
5'-Cytidylic acid,5-butyl-, diammonium salt (9CI) Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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