Cas no 6917-64-2 (Gallium,dimethyl(2-methyl-2-propanolato) (9CI))
6917-64-2 structure
Product Name:Gallium,dimethyl(2-methyl-2-propanolato) (9CI)
CAS No:6917-64-2
MF:C12H16N5O8P
MW:389.25790309906
CID:528695
PubChem ID:5241368
Update Time:2025-04-19
Gallium,dimethyl(2-methyl-2-propanolato) (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Gallium,dimethyl(2-methyl-2-propanolato) (9CI)
- [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] acetate
- 6917-64-2
- AG-G-68898
- DTXSID60412584
-
- Inchi： 1S/C12H16N5O8P/c1-5(18)25-26(21,22)23-2-6-8(19)9(20)12(24-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H,21,22)(H2,13,14,15)
- InChI Key： UBPVOHPZRZIJHM-UHFFFAOYSA-N
- SMILES： P(=O)(O)(OC(C)=O)OCC1C(C(C(N2C=NC3C(N)=NC=NC2=3)O1)O)O
Computed Properties
- Exact Mass: 389.074
- Monoisotopic Mass: 389.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 26
- Rotatable Bond Count: 6
- Complexity: 584
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _2.9
- Topological Polar Surface Area: 192A^2
Experimental Properties
- Density: 2.07
- Boiling Point: 739.3°Cat760mmHg
- Flash Point: 400.9°C
- Refractive Index: 1.803
- PSA: 201.95000
- LogP: -0.71100
Gallium,dimethyl(2-methyl-2-propanolato) (9CI) Related Literature
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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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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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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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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