Product Information
Chemical Formula: | C21H27N7O14P2 |
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Linear Formula: | {C5H4N(CONH2)C4H4O(OH)2CH2OP(O)2OP(O)(OH)OCH2C4H4O(OH)2C5H2N4(NH2)} |
Molecular Weight: | 663.43 |
Synonyms: | NAD+; coenzyme I; 53-84-9; beta-NAD; nicotinamide adenine dinucleotide; Codehydrase I; beta-NAD+ |
MDL No.: | MFCD00036253 |
EINECS / EC No.: | 200-184-4 |
Pubchem CID: | 5892 |
IUPAC Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate |
Standard InchI: | InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 |
InchI Key: | BAWFJGJZGIEFAR-NNYOXOHSSA-N |
SMILES: | C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N |
Appearance: | white powder |
Melting Point: | N/A |
Boiling Point: | N/A |
Density (Theoretical): | N/A |
Solubility: | H2O: 50 mg/mL |
Safety Information
Signal Word: | Warning |
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Hazard Statements: | H315-H319-H335 |
Precautionary Statements: | P261-P305+P351+P338 |
Transportation Information: | N/A |
GHS Pictograms: |