Cas no 4061-78-3 (5'-Adenylicacid, 1-oxide)
5'-Adenylicacid, 1-oxide structure
Product Name:5'-Adenylicacid, 1-oxide
CAS No:4061-78-3
MF:C10H14N5O8P
MW:363.22062253952
CID:334630
PubChem ID:6857539
Update Time:2025-04-19
5'-Adenylicacid, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 5'-Adenylicacid, 1-oxide
- Adenosine 1-oxide 5'-monophosphate
- 1-oxy-[5']adenylic acid
- 1-Oxy-[5']adenylsaeure
- 5'-Adenylphosphoric acid
- 5'-ADP
- 5'-AMP-1-N-oxid
- ADENOSINE DIPHOSPHATE
- adenosine monophosphate N1-oxide
- adenosine N1-oxide 5'-monophosphate
- Adenosine N'-oxide 5'-monophosphate
- adenosinepyrophosphate
- adp(nucleotide)
- ADP.H2
- Etheno-ADP
- CHEBI:35483
- 4061-78-3
- adenosine 5'-monophosphate 1-oxide
- [(2R,3S,4R,5R)-3,4-dihydroxy-5-(1-hydroxy-6-iminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
- adenosine 5'-(dihydrogen phosphate) 1-oxide
- AMP N1-oxide
- SCHEMBL14874487
-
- Inchi： 1S/C10H14N5O8P/c11-8-5-9(13-3-15(8)18)14(2-12-5)10-7(17)6(16)4(23-10)1-22-24(19,20)21/h2-4,6-7,10-11,16-18H,1H2,(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
- InChI Key： NHPUYVZFYMGZQX-KQYNXXCUSA-N
- SMILES： P(=O)(O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(=N)N(C=NC2=3)O)O1)O)O
Computed Properties
- Exact Mass: 363.05812
- Monoisotopic Mass: 363.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 586
- 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
- Topological Polar Surface Area: 194A^2
- XLogP3: -4
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 200.12
- LogP: -1.24830
5'-Adenylicacid, 1-oxide Related Literature
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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