Basic information
- CAS
68889-85-0- Standard SMILES
NC(=O)c1cc(CC[C@H](O)C(=O)[O-])c[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1- InChIKey
PLMTVPOYALSQOL-AMUFZZJCSA-N- Molecular formula
- C25H33N7O17P2
- Average molar mass
- 765.5 g/mol
- Monoisotopic mass
- 765.14081661
Overview
active coenzyme substrate analog
Names & identifiers
- Preferred name
- 5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide
- IUPAC
- (2S)-4-[1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]-5-carbamoylpyridin-1-ium-3-yl]-2-hydroxybutanoate
- English name
- 5-(3-carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide
- Molecular formula
- C25H33N7O17P2
- Molecular weight
- 765.513742
Names & synonyms
S-Lac-NAD68889-85-05-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotideDTXSID00218966RefChem:101659DTXCID50141457Adenosine--5'-(trihydrogen diphosphate), 5'-5'-ester with 3-(aminocarbonyl)-5-(3-carboxy-3-hydroxypropyl)-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt, (S)-(3s)-5-(3-Carboxy-3-Hydroxypropyl) Nicotinamide-Adenine-DinucleotideQ27462623(2S)-4-{1-[(2R,3R,4S,5R)-5-({[{[{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-5-carbamoylpyridin-1-ium-3-yl}-2-hydroxybutanoateAdenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 3-(aminocarbonyl)-5-(3-carboxy-3-hydroxypropyl)-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt, (S)-
Database identifiers
- CAS
68889-85-0- PubChem CID
- 194292
- DTXSID
Properties
Computed structural properties
- XLogP
- -5.7
- Topological polar surface area
- 379 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 14
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,340
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
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