NADPH

CAS Registry Number®

53-57-6
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CAS Name

NADPH

Molecular Formula

C21H30N7O17P3

Molecular Mass

745.42

Cite this Page

NADPH.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53-57-6 (retrieved 2024-05-29) (CAS RN: 53-57-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

InChIKey

InChIKey=ACFIXJIJDZMPPO-NNYOXOHSSA-N

SMILES

O(P(=O)(O)O)[C@H]1[C@@H](O[C@H](COP(OP(OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=C(C(N)=O)CC=C3)(=O)O)(=O)O)[C@H]1O)N4C=5C(N=C4)=C(N)N=CN5

Canonical SMILES

O=C(N)C1=CN(C=CC1)C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC=5C(=NC=NC54)N)C(OP(=O)(O)O)C3O)C(O)C2O

Other Names for this Substance

  • Adenosine 5′-(trihydrogen diphosphate), 2′-(dihydrogen phosphate), P′→5′-ester with 1,4-dihydro-1-β-D-ribofuranosyl-3-pyridinecarboxamide
  • Adenosine, 2′-(dihydrogen phosphate) 5′-(trihydrogen pyrophosphate), 5′→5′-ester with 1,4-dihydro-1-β-D-ribofuranosylnicotinamide
  • Dihydrocodehydrogenase II
  • NADPH
  • NADPH2

Deleted or Replaced CAS Registry Numbers

3545-01-5, 22046-90-8

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