Cas no 105701-92-6 (Adenosine 5'-(trihydrogen diphosphate), N-phenyl-)
105701-92-6 structure
Product Name:Adenosine 5'-(trihydrogen diphosphate), N-phenyl-
CAS No:105701-92-6
MF:C16H19N5O10P2
MW:503.297085046768
CID:1162598
Update Time:2024-07-26
Adenosine 5'-(trihydrogen diphosphate), N-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Adenosine 5'-(trihydrogen diphosphate), N-phenyl-
- N6- PHENYLADENOSINE- 5'- O- DIPHOSPHATE ( 6-PHE-ADP )
- [(2R,3S,4R,5R)-5-(6-anilinopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
- 6-Phe-ADP
-
- Inchi： 1S/C16H19N5O10P2/c22-12-10(6-29-33(27,28)31-32(24,25)26)30-16(13(12)23)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-23H,6H2,(H,27,28)(H,17,18,20)(H2,24,25,26)/t10-,12-,13-,16-/m1/s1
- InChI Key： OFNYOPBZSMWXCX-XNIJJKJLSA-N
- SMILES： C(OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@@H](N2C3=C(C(=NC=N3)NC3=CC=CC=C3)N=C2)[C@H](O)[C@@H]1O
Computed Properties
- Exact Mass: 503.061
- Monoisotopic Mass: 503.061
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 33
- Rotatable Bond Count: 8
- Complexity: 770
- 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: _2.4
Adenosine 5'-(trihydrogen diphosphate), N-phenyl- Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
105701-92-6 (Adenosine 5'-(trihydrogen diphosphate), N-phenyl-) Related Products
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- 58-64-0(Adenosine 5'-Diphosphate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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