HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 439153Erstellt: 27. Oktober 2026
Dihydronicotinamid-adenin-dinucleotid
NADH · NICOTINAMIDE ADENINE DINUCLEOTIDE · dihydrocozymase · 1,4-Dihydronicotinamide adenine dinucleotide · Reduced form · β-NADH, DPNH, NADH · Reduced codehydrase I · Testosterone 17β-dehydrogenase
https://huagongshe.com/de/chemical/439153
Identifikatoren & physikalische Daten
| CAS No. | 58-68-4 |
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| Summenformel | C21H29N7O14P2 |
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| Durchschnittliche Molmasse | 665,4 g/mol |
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| Monoisotopische Masse | 665,12477262 g/mol |
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| SMILES | NC(=O)C1=CN([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)C=CC1 |
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| InChIKey | BOPGDPNILDQYTO-NNYOXOHSSA-N |
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| PubChem CID | 439153 |
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| ChEMBL | CHEMBL1234616 |
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| ChEBI | CHEBI:16908 |
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| EC No. | 200-393-0 |
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| DTXSID | DTXSID30889320 |
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| Lokaler Name | Dihydronicotinamid-adenin-dinucleotid |
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Chemische & physikalische Eigenschaften
| XLogP | -5,7 |
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| Polarare Oberfläche (TPSA) | 318 |
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| H-Brücken-Donoren | 8 |
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| H-Brücken-Akzeptoren | 19 |
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| Frei drehbare Bindungen | 11 |
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| Schwere Atome | 44 |
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| Formalladung | 0 |
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| Komplexität | 1.230 |
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| LogP (Verteilungskoeffizient) | -5.1 |
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| Schmelzpunkt | 140.0-142.0 °C140.0 - 142.0 °C |
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| Physical Description | Solid |
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| Siedepunkt | 1081.8±75.0 °C(Predicted) |
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| Dichte | 2.18±0.1 g/cm3(Predicted) |
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| Löslichkeit | Water (Slightly) |
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| pKa (Säurekonstante) | 1.13±0.50(Predicted) |
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| Aggregatzustand | Solid |
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| Farbe | White to Off-White |
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| Stabilität | Light Sensitive, Temperature Sensitive |
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| InChIKey | BOPGDPNILDQYTO-NNYOXOHSSA-N |
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| EPA chemische Informationen | Adenosine 5'-(trihydrogen diphosphate), P'.fwdarw.5'-ester with 1,4-dihydro-1-.beta.-D-ribofuranosyl-3-pyridinecarboxamide (58-68-4) |
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Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: Adenosine 5â²-(trihydrogen diphosphate), Pâ².fwdarw.5â²-ester with 1,4-dihydro-1-.beta.-D-ribofuranosyl-3-pyridinecarboxamideAdenosine 5'-(trihydrogen diphosphate), P'â5'-ester with 1,4-dihydro-1-.beta.-D-ribofuranosyl-3-pyridinecarboxamide, disodium salt: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
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| TSCA-Inventar-Status | TSCA listed |
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