Cas no 6697-37-6 (Adenosine5'-(trihydrogen diphosphate), 2'-deoxy-, P'®5'-ester with 3-(aminocarbonyl)-1-b-D-ribofuranosylpyridinium, innersalt (9CI))
6697-37-6 structure
Product Name:Adenosine5'-(trihydrogen diphosphate), 2'-deoxy-, P'®5'-ester with 3-(aminocarbonyl)-1-b-D-ribofuranosylpyridinium, innersalt (9CI)
CAS No:6697-37-6
MF:C21H27N7O13P2
MW:647.425706148148
CID:512939
PubChem ID:188996
Update Time:2025-04-19
Adenosine5'-(trihydrogen diphosphate), 2'-deoxy-, P'®5'-ester with 3-(aminocarbonyl)-1-b-D-ribofuranosylpyridinium, innersalt (9CI) Chemical and Physical Properties
Names and Identifiers
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- 2'-deoxynicotinamide adenine dinucleotide
- 5'-ester with 3-(aminocarbonyl)-1-b-D-ribofuranosylpyridinium, innersalt (9CI)
- Adenosine5'-(trihydrogen diphosphate), 2'-deoxy-, P'®
- (2R,3R,4S,5R)-5-[[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
- 6697-37-6
- 2'-Dnad
- 2'-Deoxy NAD
- 2'-Deoxyadenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 3-(aminocarbonyl)-1-beta- D-ribofuranosylpyridinium hydroxide, inner salt
- Adenosine5'-(trihydrogen diphosphate), 2'-deoxy-, P'®5'-ester with 3-(aminocarbonyl)-1-b-D-ribofuranosylpyridinium, innersalt (9CI)
-
- Inchi： 1S/C21H27N7O13P2/c22-18-15-20(25-8-24-18)28(9-26-15)14-4-11(29)12(39-14)6-37-42(33,34)41-43(35,36)38-7-13-16(30)17(31)21(40-13)27-3-1-2-10(5-27)19(23)32/h1-3,5,8-9,11-14,16-17,21,29-30H,4,6-7H2,(H2,23,32)(H,33,34)(H,35,36)(H2,22,24,25)/t11-,12+,13+,14+,16+,17+,21+/m0/s1
- InChI Key： RXYYOFBFVPRKQV-HJKWLTBHSA-N
- SMILES： P(=O)(O)(OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H]([N+]2C=CC=C(C(N)=O)C=2)O1)[O-])O)OC[C@@H]1[C@H](C[C@H](N2C=NC3C(N)=NC=NC2=3)O1)O
Computed Properties
- Exact Mass: 647.114207
- Monoisotopic Mass: 647.114207
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 43
- Rotatable Bond Count: 11
- Complexity: 1100
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 301
- XLogP3: -3.9
Adenosine5'-(trihydrogen diphosphate), 2'-deoxy-, P'®5'-ester with 3-(aminocarbonyl)-1-b-D-ribofuranosylpyridinium, innersalt (9CI) Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
6697-37-6 (Adenosine5'-(trihydrogen diphosphate), 2'-deoxy-, P'®5'-ester with 3-(aminocarbonyl)-1-b-D-ribofuranosylpyridinium, innersalt (9CI)) Related Products
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