Cas no 117627-21-1 (Guanosine, 5'-[hydrogen(carboxymethyl)phosphonate] (9CI))
117627-21-1 structure
Product Name:Guanosine, 5'-[hydrogen(carboxymethyl)phosphonate] (9CI)
CAS No:117627-21-1
MF:C12H16N5O9P
MW:405.257303237915
CID:208984
PubChem ID:135406463
Update Time:2025-04-19
Guanosine, 5'-[hydrogen(carboxymethyl)phosphonate] (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Guanosine, 5'-[hydrogen(carboxymethyl)phosphonate] (9CI)
- 2-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
- 2-((((2R,3S,4R,5R)-5-(2-Amino-6-oxo-1H-purin-9(6H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)acetic acid
- 2-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid
- 117627-21-1
- {[5-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid
- ((5-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid
- 9-{5-O-[(Carboxymethyl)(hydroxy)phosphoryl]pentofuranosyl}-2-imino-3,9-dihydro-2H-purin-6-ol
- SCHEMBL11685180
- DTXSID00922490
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- Inchi: 1S/C12H16N5O9P/c13-12-15-9-6(10(22)16-12)14-3-17(9)11-8(21)7(20)4(26-11)1-25-27(23,24)2-5(18)19/h3-4,7-8,11,20-21H,1-2H2,(H,18,19)(H,23,24)(H3,13,15,16,22)/t4-,7-,8-,11-/m1/s1
- InChI Key: YWTLGKCIOMEZNR-TZQXKBMNSA-N
- SMILES: P(CC(=O)O)(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(NC(N)=NC2=3)=O)O1)O)O
Computed Properties
- Exact Mass: 405.06868
- Monoisotopic Mass: 405.06856410g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 27
- Rotatable Bond Count: 6
- Complexity: 705
- 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: -3.5
- Topological Polar Surface Area: 219?2
Experimental Properties
- PSA: 218.82
Guanosine, 5'-[hydrogen(carboxymethyl)phosphonate] (9CI) Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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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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Ke Chen,Shuai Liu,Liang Mei,Feng Jin,Bo Zhang,Fengxiang Ma,Yewei Chen,Hong Deng,Min Guo,Qingxu Yu Analyst, 2020,145, 1524-1530
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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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