Cas no 70578-47-1 ([(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-5-octyl-8-oxo-4a,5,6,7-tetrahydro-2,7-naphthyridin-2-yl)tetrahydrofuran-2-yl]methyl hydrogen phosp)
![[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-5-octyl-8-oxo-4a,5,6,7-tetrahydro-2,7-naphthyridin-2-yl)tetrahydrofuran-2-yl]methyl hydrogen phosp structure](https://ossimg.kuujia.com/scimg/71000/70578-47-1x500.png)
70578-47-1 structure
Product Name:[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-5-octyl-8-oxo-4a,5,6,7-tetrahydro-2,7-naphthyridin-2-yl)tetrahydrofuran-2-yl]methyl hydrogen phosp
CAS No:70578-47-1
MF:C31H48N7O18P3
MW:899.670210838318
CID:1744651
PubChem ID:191948
Update Time:2025-04-21
[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-5-octyl-8-oxo-4a,5,6,7-tetrahydro-2,7-naphthyridin-2-yl)tetrahydrofuran-2-yl]methyl hydrogen phosp Chemical and Physical Properties
Names and Identifiers
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- [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-5-octyl-8-oxo-4a,5,6,7-tetrahydro-2,7-naphthyridin-2-yl)tetrahydrofuran-2-yl]methyl hydrogen phosp
- [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-5-octyl-8-oxo-4a,5,6,7-tetrahydro-2,7-napht
- Adenosine 5'-((trihydrogen) diphosphate), 2'-(dihydrogen phosphate), 5'-5'-ester with 3,4,4a,7-tetrahydro-3-hydroxy-4-octyl-7-beta-D-ribofuranosyl-2,7-naphthyridin-1(2H)-one
- 70578-47-1
- Nicotinamide-adenine-dinucleotide phosphate decanaldehyde
- Nadp-decanaldehyde
- [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-5-octyl-8-oxo-4a,5,6,7-tetrahydro-2,7-naphthyridin-2-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
- Nicotinamide-adenine dinucleotide phosphate decanaldehyde
- Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), 5'-5'-ester with 3,4,4a,7-tetrahydro-3-hydroxy-4-octyl-7-beta-D-ribofuranosyl-2,7-naphthyridin-1(2H)-one
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- Inchi： 1S/C31H48N7O18P3/c1-2-3-4-5-6-7-8-17-16-9-10-37(11-18(16)29(43)36-28(17)42)30-24(41)22(39)19(53-30)12-51-58(47,48)55-25-23(40)20(13-52-59(49,50)56-57(44,45)46)54-31(25)38-15-35-21-26(32)33-14-34-27(21)38/h9-11,14-17,19-20,22-25,28,30-31,39-42H,2-8,12-13H2,1H3,(H,36,43)(H,47,48)(H,49,50)(H2,32,33,34)(H2,44,45,46)/t16?,17?,19-,20-,22-,23-,24-,25-,28?,30-,31-/m1/s1
- InChI Key： PSATYDKFTRVLDM-VTFUKPRKSA-N
- SMILES： P(=O)(O)(OC[C@@H]1[C@H]([C@H]([C@H](N2C=CC3C(C(NC(C3CCCCCCCC)O)=O)=C2)O1)O)O)O[C@H]1[C@H](N2C=NC3C(N)=NC=NC2=3)O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H]1O
Computed Properties
- Exact Mass: 899.22686870g/mol
- Monoisotopic Mass: 899.22686870g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 23
- Heavy Atom Count: 59
- Rotatable Bond Count: 19
- Complexity: 1680
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3
- Topological Polar Surface Area: 370?2
[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-5-octyl-8-oxo-4a,5,6,7-tetrahydro-2,7-naphthyridin-2-yl)tetrahydrofuran-2-yl]methyl hydrogen phosp Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
70578-47-1 ([(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-5-octyl-8-oxo-4a,5,6,7-tetrahydro-2,7-naphthyridin-2-yl)tetrahydrofuran-2-yl]methyl hydrogen phosp) Related Products
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