Cas no 88467-41-8 (5'-Adenylic acid, monobutyl ester)
88467-41-8 structure
Product Name:5'-Adenylic acid, monobutyl ester
CAS No:88467-41-8
MF:C14H22N5O7P
MW:403.327543735504
CID:631621
PubChem ID:54402619
Update Time:2024-03-01
5'-Adenylic acid, monobutyl ester Chemical and Physical Properties
Names and Identifiers
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- 5'-Adenylic acid, monobutyl ester
- 5'-Adenylic acid, monobutyl ester (9CI)
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- Inchi： 1S/C14H22N5O7P/c1-2-3-4-24-27(22,23)25-5-8-10(20)11(21)14(26-8)19-7-18-9-12(15)16-6-17-13(9)19/h6-8,10-11,14,20-21H,2-5H2,1H3,(H,22,23)(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
- InChI Key： VOMQEXIAZJZJAB-IDTAVKCVSA-N
- SMILES： P(OC[C@H]1O[C@@H](N2C3C(=C(N=CN=3)N)N=C2)[C@H](O)[C@@H]1O)(O)(OCCCC)=O
Computed Properties
- Exact Mass: 403.12568506g/mol
- Monoisotopic Mass: 403.12568506g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 27
- Rotatable Bond Count: 8
- Complexity: 546
- 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: -1.7
- Topological Polar Surface Area: 175?2
5'-Adenylic acid, monobutyl ester Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
Related Categories
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleoside monophosphates
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Purine ribonucleoside monophosphates
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