Cas no 104532-07-2 ([(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-ethoxycarbonylphosphinic Acid)
![[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-ethoxycarbonylphosphinic Acid structure](https://ossimg.kuujia.com/scimg/105000/104532-07-2x500.png)
104532-07-2 structure
Product Name:[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-ethoxycarbonylphosphinic Acid
CAS No:104532-07-2
MF:C13H18N5O8P
MW:403.28448343277
CID:1144625
PubChem ID:5271246
Update Time:2025-04-20
[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-ethoxycarbonylphosphinic Acid Chemical and Physical Properties
Names and Identifiers
-
- [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-ethoxycarbonylphosphinic Acid
- 104532-07-2
- 9H-Purin-6-amine, 9-[5-O-[(ethoxycarbonyl)hydroxyphosphinyl]-.beta.-D-ribofuranosyl]-
- 9H-Purin-6-amine, 9-(5-O-((ethoxycarbonyl)hydroxyphosphinyl)-beta-D-ribofuranosyl)-
- [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-ethoxycarbonyl-phosphinic acid
- DTXSID40146532
-
- Inchi： 1S/C13H18N5O8P/c1-2-24-13(21)27(22,23)25-3-6-8(19)9(20)12(26-6)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19-20H,2-3H2,1H3,(H,22,23)(H2,14,15,16)/t6-,8-,9-,12-/m1/s1
- InChI Key： KETWOQQXODKSAB-WOUKDFQISA-N
- SMILES： P(C(=O)OCC)(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O
Computed Properties
- Exact Mass: 403.08944
- Monoisotopic Mass: 403.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 27
- Rotatable Bond Count: 7
- Complexity: 599
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _2.5
- Topological Polar Surface Area: 192A^2
Experimental Properties
- Density: 1.98
- Boiling Point: 735.3°C at 760 mmHg
- Flash Point: 398.5°C
- Refractive Index: 1.774
- PSA: 192.14
- LogP: -0.03260
[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-ethoxycarbonylphosphinic Acid Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
Related Categories
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleoside monophosphates
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Purine ribonucleoside monophosphates
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