Cas no 110241-41-3 (Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 3-formyl-1,4-dihydro-a-oxo-1-b-D-ribofuranosyl-4-pyridinepropanoic acid (9CI))

Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 3-formyl-1,4-dihydro-a-oxo-1-b-D-ribofuranosyl-4-pyridinepropanoic acid (9CI) structure
110241-41-3 structure
Product Name:Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 3-formyl-1,4-dihydro-a-oxo-1-b-D-ribofuranosyl-4-pyridinepropanoic acid (9CI)
CAS No:110241-41-3
MF:C24H30N6O17P2
MW:736.472527980804
CID:183611
PubChem ID:194852
Update Time:2025-04-19

Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 3-formyl-1,4-dihydro-a-oxo-1-b-D-ribofuranosyl-4-pyridinepropanoic acid (9CI) Chemical and Physical Properties

Names and Identifiers

    • 3-(4-(reduced 3-pyridine aldehyde-adenine dinucleotide))pyruvate
    • Adenosine5'-(trihydrogen diphosphate), P'&reg
    • 3-[1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-3-formyl-4H-pyridin-4-yl]-2-oxo-propanoic acid
    • 3-RAP
    • 5'-ester with 3-formyl-1,4-dihydro-a-oxo-1-b-D-ribofuranosyl-4-pyridinepropanoi
    • 5'-ester with 3-formyl-1,4-dihydro-a-oxo-1-b-D-ribofuranosyl-4-pyridinepropanoic acid (9CI)
    • 3-[1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]-3-formyl-4H-pyridin-4-yl]-2-oxopropanoic acid
    • 110241-41-3
    • Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 3-formyl-1,4-dihydro-a-oxo-1-b-D-ribofuranosyl-4-pyridinepropanoic acid (9CI)
    • Inchi： 1S/C24H30N6O17P2/c25-20-15-21(27-8-26-20)30(9-28-15)23-19(36)17(34)14(46-23)7-44-49(41,42)47-48(39,40)43-6-13-16(33)18(35)22(45-13)29-2-1-10(11(4-29)5-31)3-12(32)24(37)38/h1-2,4-5,8-10,13-14,16-19,22-23,33-36H,3,6-7H2,(H,37,38)(H,39,40)(H,41,42)(H2,25,26,27)/t10?,13-,14-,16-,17-,18-,19-,22-,23-/m1/s1
    • InChI Key： KMUXHEHGGAHXNF-HXMAPSATSA-N
    • SMILES： P(=O)(O)(OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=CC(CC(C(=O)O)=O)C(C=O)=C2)O1)O)O

Computed Properties

  • Exact Mass: 736.1144
  • Monoisotopic Mass: 736.114
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 22
  • Heavy Atom Count: 49
  • Rotatable Bond Count: 14
  • Complexity: 1420
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _6
  • Topological Polar Surface Area: 346?2

Experimental Properties

  • Density: 2.11
  • Boiling Point: 1093°Cat760mmHg
  • Flash Point: 614.8°C
  • Refractive Index: 1.81
  • PSA: 345.97

Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 3-formyl-1,4-dihydro-a-oxo-1-b-D-ribofuranosyl-4-pyridinepropanoic acid (9CI) Related Literature

110241-41-3 (Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 3-formyl-1,4-dihydro-a-oxo-1-b-D-ribofuranosyl-4-pyridinepropanoic acid (9CI)) Related Products

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