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Ganciclovir Sodium
CAS: 107910-75-8 | C9H13N5NaO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
107910-75-8
Molecular Formula:
C9H13N5NaO4
Molecular Mass:
278.22 g/mol
Names and Synonyms:
Ganciclovir Sodium
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-, sodium salt (1:1)
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-, monosodium salt
Cytovene
RS 21592 sodium
Ganciclovir sodium
Cymevene
Cytovene IV
Identifiers:
SMILES:
N=c1nc(O)c2ncn(COC(CO)CO)c2[nH]1.[Na]
InChI:
InChI=1S/C9H13N5O4.Na/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16;/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.22 g/mol | CAS Common Chemistry |
| 278.224 g/mol | RDKit | |
| 278.086523176 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C1N=C(N)NC2=C1N=CN2COC(CO)CO | CAS Common Chemistry |
| InChI | InChI=1S/C9H13N5O4.Na/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16;/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17); | CAS Common Chemistry |
| InChI Key | InChIKey=CYNKKJBOBVXOGX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ganciclovir sodium | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 140.27 Ų | RDKit |
| LogP | -2.1090299999999993 | RDKit |
| Molar Refractivity | 64.19680000000001 | RDKit |
