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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

Inventory

EC number:
200-393-0
EC name:
Dihydronicotinamide-adenine dinucleotide
CAS number:
58-68-4
CAS number:
58-68-4
Synonyms
Names:
Adenosine 5'-(trihydrogen diphosphate), 5'.fwdarw.5'-ester with 1,4-dihydro-1-.beta.-D-ribofuranosyl
Adenosine 5'-(trihydrogen diphosphate), 5'<
Adenosine 5'-(trihydrogen diphosphate), P'.fwdarw.5'-ester with 1,4-dihydro-1-.beta.-D-ribofuranosyl-3-pyridinecarboxamide

Molecular and structural information

Molecular formula:
C21H29N7O14P2
Molecular weight:
665.441
SMILES notation:
NC(=O)C1=CN(C=CC1)C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C(O)C2O
InChl:
InChI=1/C21H29N7O14P2/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/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)
Structural formula:
Chemical structure

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