Basic information
- Standard SMILES
NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1- InChIKey
ACFIXJIJDZMPPO-UHFFFAOYSA-N- Molecular formula
- C21H30N7O17P3
- Average molar mass
- 745.4 g/mol
- Monoisotopic mass
- 745.09110351
Names & identifiers
- Preferred name
- [[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
- IUPAC
- [[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Names & synonyms
dihydro-nicotinamide-adenine-dinucleotide phosphate|A-NADPH-d|A-TPNH-dDihydro-codehydrogenase II-dSCHEMBL29362930Triphosphopyridine Nucleotide-d Reduced25 MG-NICOTINAMIDE ADENINE DINUCLEOTIDEPHOSPHATE REDUCED.NA4-SALT AN.GR.[[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate|A-Nicotinamide-adenine-dinucleotide-phosphoric Acid-dAdenosine 5'-(trihydrogen diphosphate) 2'-(Dihydrogen Phosphate) P'-5'-Ester with (4S)-1,4-Dihydro-1-|A-d-ribofuranosyl-3-pyridine-4-d-carboxamideIminodicarboxylic Acid Di-tert-butyl Ester; Di-t-butyl iminodicarboxylate; [[(2S,3S,4S,5S)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-te trahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2S,3R,4S,5S)-5-( 3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetra
Database identifiers
- PubChem CID
- 930
Properties
Computed structural properties
- XLogP
- -6.8
- Topological polar surface area
- 364 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 13
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,410
Related reactions
8 records
Linked notes
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