2',3'-Dialdehyde NADP
Basic information
- CAS
87075-47-6- Standard SMILES
NC(=O)c1ccc[n+]([C@@H](C=O)O[C@@H](C=O)COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](OP(=O)(O)O)[C@@H]2O)c1- InChIKey
VPYLECDBJZNETQ-HLGREYGBSA-N- Molecular formula
- C21H26N7O17P3
- Average molar mass
- 741.4 g/mol
- Monoisotopic mass
- 741.05980338
Names & identifiers
- Preferred name
- 2',3'-Dialdehyde NADP
- IUPAC
- [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R)-2-[(1R)-1-(3-carbamoylpyridin-1-ium-1-yl)-2-oxoethoxy]-3-oxopropyl] phosphate
- English name
- 2',3'-dialdehyde NADP
- Molecular formula
- C21H26N7O17P3
- Molecular weight
- 741.389123
Names & synonyms
Dial-nadpNADPH DialdehydeoTPNoTPNH2',3'-Dialdehyde nicotinamide-adenine dinucleotide phosphate2',3'-Dialdehyde TPN2',3'-Dialdehyde NADPNADPH-2',3'-Dialdehyde87075-47-6Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), 5'-mono(2-(1-(3-(aminocarbonyl)pyridinio)-2-oxoethoxy)-3-oxopropyl) ester, hydroxide, inner salt, (R-(R*,R*))-RefChem:800262',3'-Dialdehyde NADPH
Show more names
Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'-[(2R)-2-[(1R)-1-[3-(aminocarbonyl)pyridinio]-2-oxoethoxy]-3-oxopropyl] ester,
[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R)-2-[(1R)-1-(3-carbamoylpyridin-1-ium-1-yl)-2-oxoethoxy]-3-oxopropyl] phosphateSCHEMBL29563462
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -6.5
- Topological polar surface area
- 361 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 17
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,290
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…