Cas no 62230-89-1 (2'-Phospho-5'-adenylyl sulfate)
62230-89-1 structure
Product Name:2'-Phospho-5'-adenylyl sulfate
CAS No:62230-89-1
MF:C10H15N5O13P2S
MW:507.264322519302
CID:956336
PubChem ID:440048
Update Time:2024-03-01
2'-Phospho-5'-adenylyl sulfate Chemical and Physical Properties
Names and Identifiers
-
- adenosine 2'-phosphate 5-phosphosulfate, lithium salt
- 2'-phosphoadenosine 5'-phosphosulfate
- ADENOSINE 2'-PHOSPHATE 5'-PHOSPHOSULFATE (CL)
- Adenosine 2'-phosphate 5'-phosphosulfate
- IsoPAPS
- iso-PAPS
- 2'-Adenylic acid 5'-(dihydrogen phosphate) 5'-anhydride with sulfuric acid
- 2'-phospho-5'-adenylyl sulfate
- 2'-Phosphoadenylylsulfate
- 2'-phosphoadenylyl sulfate
- 2'-O-phosphono-5'-adenylyl sulfate
- 5'-O-[hydroxy(sulfooxy)phosphoryl]adenosine 2'-(dihydrogen phosphate)
- C03568
- Q27105371
- 2'-Phospho-5'-adenylyl sulfate
-
- Inchi： 1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(27-29(17,18)19)6(16)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1
- InChI Key： SGNZKKOMSOPYFR-KQYNXXCUSA-N
- SMILES： S(=O)(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)OP(=O)(O)O)O
Computed Properties
- Exact Mass: 506.98623072 g/mol
- Monoisotopic Mass: 506.98623072 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 31
- Rotatable Bond Count: 8
- Complexity: 852
- 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
- Molecular Weight: 507.27
- XLogP3: -5
- Topological Polar Surface Area: 284
Experimental Properties
- Density: 2.56±0.1 g/cm3 (20 oC 760 Torr),
- Solubility: Slightly soluble (11 g/l) (25 o C),
- PSA: 303.97000
- LogP: -0.25690
2'-Phospho-5'-adenylyl sulfate Related Literature
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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