Cas no 341-67-3 (Acetylpyridine-NADP)

Acetylpyridine-NADP structure
Acetylpyridine-NADP structure
Product Name:Acetylpyridine-NADP
CAS No:341-67-3
MF:C22H29N6O17P3
MW:742.416948080063
CID:312373
PubChem ID:3036915
Update Time:2025-04-19

Acetylpyridine-NADP Chemical and Physical Properties

Names and Identifiers

    • [(2R,3S,4R,5R)-5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate
    • 5'-ester with 3-acetyl-1-b-D-ribofuranosylpyridinium
    • 5'-ester with 3-acetyl-1-b-D-ribofuranosylpyridinium, innersalt (9CI)
    • Adenosine5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'&reg
    • β-3-Acetylpyridine adenine dinucleotide 2'-phosphate
    • Acetylpyridine-NADP
    • Acetylpyridine adenine dinucleotide phosphate
    • 3-Acetylpyridine adenine dinucleotide phosphate
    • 3-Acetyl pyridine NADP
    • Pyridinium, 3-acetyl-1-β-D- ribofuranosyl-, hydroxide, 5'→5'-ester with adenosine 2'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate), inner salt (8CI)
    • 3-Acetyl- 1-β-D-ribofuranosylpyridinium hydroxide, 5'→5'-ester with adenosine 5'-diphosphate, 2'-phosphate, inner salt (6CI)
    • 3-Acetyl-1-β-D-ribofuranosylpyridinium hydroxide, 5'-ester with adenosine 2'-phosphate, 5'-pyrophosphate, inner salt (7CI)
    • Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'→5'-ester with 3-acetyl-1-β-D-ribofuranosylpyridinium, inner salt
    • 3-Acetylpyridine-adenine dinucleotide phosphate
    • 341-67-3
    • C22-H29-N6-O17-P3
    • Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'-5'-ester with 3-acetyl-1-beta-D-ribofuranosylpyridinium inner salt
    • C22H29N6O17P3
    • DTXSID50187693
    • 3-Acetylpyridine-nadp
    • Acetylpyridine-NADP
    • Inchi: 1S/C22H29N6O17P3/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(42-21)6-40-47(36,37)45-48(38,39)41-7-13-16(31)18(44-46(33,34)35)22(43-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-32H,6-7H2,1H3,(H5-,23,24,25,33,34,35,36,37,38,39)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1
    • InChI Key: CWZSJEPJRFQEBR-RBEMOOQDSA-N
    • SMILES: P(=O)(O)(O)O[C@H]1[C@H](N2C=NC3C(N)=NC=NC2=3)O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@H]([N+]3C=CC=C(C(C)=O)C=3)O2)O)O)[C@H]1O

Computed Properties

  • Exact Mass: 742.08037
  • Monoisotopic Mass: 742.08020447g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 21
  • Heavy Atom Count: 48
  • Rotatable Bond Count: 13
  • Complexity: 1290
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -6.3
  • Topological Polar Surface Area: 342?2

Experimental Properties

  • PSA: 341.6
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