Cas no 94516-25-3 (pyridine 1,N(6)-ethenoadenine dinucleotide)
94516-25-3 structure
Product Name:pyridine 1,N(6)-ethenoadenine dinucleotide
CAS No:94516-25-3
MF:C22H26N6O13P2
MW:644.421766757965
CID:809271
Update Time:2023-11-18
pyridine 1,N(6)-ethenoadenine dinucleotide Chemical and Physical Properties
Names and Identifiers
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- pyridine 1,N(6)-ethenoadenine dinucleotide
- 5'-ester with 3-b-D-ribofuranosyl-3H-imidazo[2,1-i]purine, inner salt(9CI)
- Pyridinium,1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-b-D-ribofuranosyl]-, P'®
- CID 134158432
- [[(2R,3S,4R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-pyridin-1-ium-1-yloxolan-2-yl]methyl phosphate
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- Inchi： 1S/C22H26N6O13P2/c29-15-12(39-21(17(15)31)26-5-2-1-3-6-26)8-37-42(33,34)41-43(35,36)38-9-13-16(30)18(32)22(40-13)28-11-24-14-19-23-4-7-27(19)10-25-20(14)28/h1-7,10-13,15-18,21-22,29-32H,8-9H2,(H-,33,34,35,36)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1
- InChI Key： AOGLNQMZTPNQIN-RBEMOOQDSA-N
- SMILES： P(=O)(O)(OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@H]([N+]2C=CC=CC=2)O1)O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C4=NC=CN4C=NC2=3)O1)O)O
Computed Properties
- Exact Mass: 644.103
- Monoisotopic Mass: 644.103
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 43
- Rotatable Bond Count: 10
- Complexity: 1070
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 256
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
pyridine 1,N(6)-ethenoadenine dinucleotide Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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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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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
94516-25-3 (pyridine 1,N(6)-ethenoadenine dinucleotide) Related Products
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- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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