Disodium NADH

C21H27N7Na2O14P2CAS 606-68-8709.41 g/mol

NH2ONOOPO−OOPO−OOONNNH2NNOHHOHOHONa+Na+
AlcoholAlkeneEtherPhosphatePrimary amineTertiary amine

Properties

Molecular formula
C21H27N7Na2O14P2
Molar mass
709.41 g/mol
Exact mass
709.0887 Da
logP
-2.40Crippen estimate
Polar surface area
318.6 Ų
H-bond donors / acceptors
9 / 17
Rotatable bonds
11
Stereocentres
R, R, R, R, R, S, S, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 113 ECHA notifiers. Aggregated from 113 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
606-68-8
SMILES
NC(=O)C1=CN([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc45)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

4 names
  • Adenosine 5′-(trihydrogen diphosphate), P′→5′-ester with 1,4-dihydro-1-β-D-ribofuranosylnicotinamide, sodium salt (1:2)
  • Adenosine 5′-(trihydrogen pyrophosphate), 5′→5′-ester with 1,4-dihydro-1-β-D-ribofuranosylnicotinamide, disodium salt
  • Adenosine 5′-(trihydrogen diphosphate), P′→5′-ester with 1,4-dihydro-1-β-D-ribofuranosyl-3-pyridinecarboxamide, disodium salt
  • NADH disodium salt

Work with Disodium NADH

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Elsewhere