NAD cation

Catalog No. :
ACCLMP201
CAS No. :
865-05-4
Molecular Formula :
C21H28N7O14P2+
Molecular Weight :
664.44

IUPAC Name:1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoylpyridin-1-ium

NAD cation structure diagram
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Product Information

Product NameNAD cation
IUPAC Name1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoylpyridin-1-ium
Molecular FormulaC21H28N7O14P2+
Molecular Weight664.44
SMILESNC(=O)C1=C[N+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)=CC=C1
InChI KeyBAWFJGJZGIEFAR-NNYOXOHSSA-O
SynonymAdenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium;NAD cation
CAS No.865-05-4

Safety Data

Pictogram
Harmful or irritant
Signal Word
Achtung
Hazard Statement(s)
H302-H315-H319-H335
Precautionary Statement(s)
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501

Synthetic Route by SureRoute

1. ACCLMP201 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACAYOL972 route compound structure diagram
    ACAYOL97210060-13-6 In Stock
  4. Then
  5. ACCLMP201 route product structure diagram
    ACCLMP201865-05-4
Inquiry

2. ACCLMP201 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACCLMP201 route product structure diagram
    ACCLMP201865-05-4
Inquiry

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