Cas no 14938-28-4 (Adenosine 3'-(trihydrogen diphosphate), P'→5'-ester with adenosine (9CI))
14938-28-4 structure
Product Name:Adenosine 3'-(trihydrogen diphosphate), P'→5'-ester with adenosine (9CI)
CAS No:14938-28-4
MF:C20H26N10O13P2
MW:676.427164554596
CID:149738
PubChem ID:188326
Update Time:2025-04-19
Adenosine 3'-(trihydrogen diphosphate), P'→5'-ester with adenosine (9CI) Chemical and Physical Properties
Names and Identifiers
-
- diadenosine pyrophosphate
- [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl dihydrogen diphosphate (non-preferred name)
- 5'-ester with adenosine (9CI)
- Adenosine3'-(trihydrogen diphosphate), P'®
- AppA
- Diadenosine-5',5'-pyrophosphate
- P(1),P(2)-Di(adenosine 5'-)diphosphate
- P(1),P(2)-Diadenosine-5'-pyrophosphate
- Adenosine 3'-(trihydrogen diphosphate), P'→5'-ester with adenosine (9CI)
- GTPL1065
- D0E0LI
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
- amino-propylphosphinic acid
- [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy})phosphinic acid
- CHEBI:168561
- Diadenosine diphosphate
- 14938-28-4
- Adenosine pyrophosphate, (5'→3')-ester with adenosine (7CI)
-
- Inchi: 1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(33)11(32)8(41-19)2-39-44(35,36)43-45(37,38)42-14-7(1-31)40-20(13(14)34)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20+/m1/s1
- InChI Key: FHISWBUCBBVWGG-SNESVTBZSA-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)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2C(N)=NC=NC1=2
Computed Properties
- Exact Mass: 712.137
- Monoisotopic Mass: 676.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 21
- Heavy Atom Count: 45
- Rotatable Bond Count: 10
- Complexity: 1160
- 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: _6.1
- Topological Polar Surface Area: 341A^2
Experimental Properties
- Density: 2.43
- Boiling Point: 1143.9°Cat760mmHg
- Flash Point: 645.6°C
- PSA: 403.37
Adenosine 3'-(trihydrogen diphosphate), P'→5'-ester with adenosine (9CI) Related Literature
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
14938-28-4 (Adenosine 3'-(trihydrogen diphosphate), P'→5'-ester with adenosine (9CI)) Related Products
- 502-49-8(Cyclooctanone)
- 502-72-7(Cyclopentadecanone)
- 112-12-9(2-Undecanone)
- 120-92-3(Cyclopentanone)
- 593-08-8(2-Tridecanone)
- 111-13-7(2-Octanone)
- 110-13-4(hexane-2,5-dione)
- 502-56-7(5-Nonanone)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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