Cas no 104809-30-5 (Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 3-carboxy-1-b-D-ribofuranosylpyridinium inner salt, monosodium salt (9CI))

Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 3-carboxy-1-b-D-ribofuranosylpyridinium inner salt, monosodium salt (9CI) structure
104809-30-5 structure
Product Name:Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 3-carboxy-1-b-D-ribofuranosylpyridinium inner salt, monosodium salt (9CI)
CAS No:104809-30-5
MF:C21H25N6NaO15P2
MW:686.391697645187
CID:126456
PubChem ID:91872645
Update Time:2025-04-18

Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 3-carboxy-1-b-D-ribofuranosylpyridinium inner salt, monosodium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carboxypyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate,sodium
    • Adenosine5'-(trihydrogen diphosphate), P'&reg
    • DEAMIDO NAD SODIUM SALT
    • 5'-ester with 3-carboxy-1-b-D-ribofuranosylpyridinium inner salt, monosodium sa
    • 5'-ester with 3-carboxy-1-b-D-ribofuranosylpyridinium inner salt, monosodium salt (9CI)
    • Deamido NAD
    • NAAD
    • Nicotinic acid adenine dinucleotide sodium salt
    • Nicotinic acid NAD
    • NAAD SODIUM SALT
    • NICOTINIC ACID NAD SODIUM SALT
    • Deamido NAD, NAAD, Nicotinic acid NAD
    • nicotinic acid adenine dinucleotide*sodium
    • 104809-30-5
    • CS-0063527
    • HY-117029
    • NAAD (sodium)
    • NAAD Na salt
    • AKOS040753193
    • NAAD Na, NaAD
    • Sodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
    • G12306
    • Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 3-carboxy-1-b-D-ribofuranosylpyridinium inner salt, monosodium salt (9CI)
    • Inchi： 1S/C21H26N6O15P2.Na/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33;/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37);/q;+1/p-1/t10-,11-,13-,14-,15-,16-,19-,20-;/m1./s1
    • InChI Key： LFHLUTZTSGEADU-RHANTIMGSA-M
    • SMILES： P(=O)([O-])(OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@H]([N+]2C=CC=C(C(=O)O)C=2)O1)O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O.[Na+]

Computed Properties

  • Exact Mass: 686.07500
  • Monoisotopic Mass: 686.07508239g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 19
  • Heavy Atom Count: 45
  • Rotatable Bond Count: 11
  • Complexity: 1110
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 318?2

Experimental Properties

  • PSA: 337.75000
  • LogP: -0.95900

Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 3-carboxy-1-b-D-ribofuranosylpyridinium inner salt, monosodium salt (9CI) Security Information

  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26; S36
  • Hazardous Material Identification： Xi
  • Risk Phrases：R36/37/38

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Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 3-carboxy-1-b-D-ribofuranosylpyridinium inner salt, monosodium salt (9CI) Suppliers

NewCan Biotech Limited
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(CAS:104809-30-5)Nicotinic acid adenine dinucleotide sodium salt
Order Number:NC8489
Stock Status:
Quantity:10g
Purity:97%
Pricing Information Last Updated:Friday, 18 July 2025 16:19
Price ($):Price inquiry

Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 3-carboxy-1-b-D-ribofuranosylpyridinium inner salt, monosodium salt (9CI) Related Literature

104809-30-5 (Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 3-carboxy-1-b-D-ribofuranosylpyridinium inner salt, monosodium salt (9CI)) Related Products

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NewCan Biotech Limited
(CAS:104809-30-5)Nicotinic acid adenine dinucleotide sodium salt
NC8489
Purity:97%
Quantity:10g
Price ($):Inquiry
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