Cas no 102029-67-4 (Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®5'-ester with 3-acetyl-1-b-D-ribofuranosylpyridinium, innersalt, disodium salt (9CI))
102029-67-4 structure
Product Name:Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®5'-ester with 3-acetyl-1-b-D-ribofuranosylpyridinium, innersalt, disodium salt (9CI)
CAS No:102029-67-4
MF:C22H30N6NaO17P3
MW:766.414659023285
CID:124846
PubChem ID:16218843
Update Time:2025-04-18
Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®5'-ester with 3-acetyl-1-b-D-ribofuranosylpyridinium, innersalt, disodium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- [[5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate,sodium
- 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE PHOSPHATE SODIUM SALT
- 5'-ester with 3-acety...
- 5'-ester with 3-acetyl-1-b-D-ribofuranosylpyridinium
- 5'-ester with 3-acetyl-1-b-D-ribofuranosylpyridinium, innersalt, disodium salt (9CI)
- Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®
- APADP, sodium salt
- 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEPHO SPHATE SOD
- FT-0726509
- [[5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate;sodium
- Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-->5'-ester with 3-acetyl-1-beta-D-ribofuranosylpyridinium, inner salt, disodium salt (9CI)
- DTXSID10585050
- CID 16218843
- PUBCHEM_16218843
- 102029-67-4
- KZDYAZWFKFRMNK-UHFFFAOYSA-O
- Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®5'-ester with 3-acetyl-1-b-D-ribofuranosylpyridinium, innersalt, disodium salt (9CI)
-
- Inchi: 1S/C22H29N6O17P3.Na/c1-10(29)11-3-2-4-27(5-11)21-16(31)15(30)12(42-21)6-40-47(36,37)45-48(38,39)41-7-13-18(44-46(33,34)35)17(32)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);/p+1
- InChI Key: KZDYAZWFKFRMNK-UHFFFAOYSA-O
- SMILES: P(=O)(O)(O)OC1C(COP(=O)(O)OP(=O)(O)OCC2C(C(C([N+]3C=CC=C(C(C)=O)C=3)O2)O)O)OC(C1O)N1C=NC2C(N)=NC=NC1=2.[Na]
Computed Properties
- Exact Mass: 764.06200
- Monoisotopic Mass: 766.07779878g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 21
- Heavy Atom Count: 49
- Rotatable Bond Count: 13
- Complexity: 1300
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 8
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 339?2
Experimental Properties
- PSA: 373.86000
- LogP: -0.33760
Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®5'-ester with 3-acetyl-1-b-D-ribofuranosylpyridinium, innersalt, disodium salt (9CI) Security Information
- WGK Germany:3
- Hazard Category Code: 20/22-36/38
- Safety Instruction: S24; S45
-
Hazardous Material Identification:
- Safety Term:Hazard Codes XnRisk Statements 20/22-36/38Safety Statements 24-45WGK Germany 3
- Risk Phrases:R20/22; R36/38
Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®5'-ester with 3-acetyl-1-b-D-ribofuranosylpyridinium, innersalt, disodium salt (9CI) Pricemore >>
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Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®5'-ester with 3-acetyl-1-b-D-ribofuranosylpyridinium, innersalt, disodium salt (9CI) Related Literature
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