Basic information
- CAS
86-07-7- Standard SMILES
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC([n+]3cccc(C=O)c3)C(O)C2O)C(O)C1O- InChIKey
SZBYQPGZRAWXKJ-UHFFFAOYSA-O- Molecular formula
- C21H27N6O14P2+
- Average molar mass
- 649.4 g/mol
- Monoisotopic mass
- 649.10604855
Names & identifiers
- Preferred name
- 3-Pyridinealdehyde adenine dinucleotide
- IUPAC
- [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-formylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
- English name
- 3-Pyridinealdehyde adenine dinucleotide
- Molecular formula
- C21H26N6O14P2
- Molecular weight
- 648.41
Names & synonyms
3-Pyridinealdehyde adenine dinucleotide3-Pyridine aldehyde-DPNPyridine 3-aldehyde NAD(Pyridine-3-aldehyde)ADAdenine-nicotinaldehyde dinucleotideNicotinaldehyde-adenine dinucleotide3-Formylpyridine-adenine dinucleotidePyridine-3-aldehyde-adenine dinucleotidePyridinecarbaldehyde adenine dinucleotidePyridine-3-aldehyde diphosphopyridine nucleotide[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-formylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateSZBYQPGZRAWXKJ-UHFFFAOYSA-O
Show more names
NSC 202703-pyridinealdehyde-NAD3-PYRIDINEALDEHYDE-DPN4-Oxaspiro[2.4]heptane-6,7-diol, 1-[(benzoyloxy)methyl]-5-(6-chloro-9H-purin-9-yl)-, 6,7-diacetate, (1S,3R,5R,6R,7S)- (ACI)
NSC20270NSC-20270
Properties
Computed structural properties
- XLogP
- -5.3
- Topological polar surface area
- 292 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 1
- Complexity
- 1,080
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 1 · 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 1
- risk_code
- 36/37/38
- safety_code
- 26-36
Chemistry & industry
Suppliers1 total
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…