Ganciclovir Di-O-acetate

HCID 135459822CAS 86357-19-9

Basic information

Standard SMILES
CC(=O)OCC(COC(C)=O)OCn1cnc2c(=O)[nH]c(N)nc21
InChIKey
NSZKHEYZLNPIEJ-UHFFFAOYSA-N
Molecular formula
C13H17N5O6
Average molar mass
339.3 g/mol

Names & identifiers

Preferred name
Ganciclovir Di-O-acetate
IUPAC
[3-acetyloxy-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]propyl] acetate
English name
9-(1,3-diacetate-2-propoxymethyl)guanine
Molecular formula
C13H17N5O6
Molecular weight
339.3

Names & synonyms

86357-19-9Ganciclovir Di-O-acetateGanciclovir Impurity 112-((2-amino-6-oxo-1H-purin-9(6H)-yl)methoxy)propane-1,3-diyl diacetate6H-Purin-6-one, 9-[[2-(acetyloxy)-1-[(acetyloxy)methyl]ethoxy]methyl]-2-amino-1,9-dihydro-NG7NB2E3G7CHEMBL122526SCHEMBL9583727NSZKHEYZLNPIEJ-UHFFFAOYSA-N2-((2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy)propane-1,3-diyl diacetate9-(1,3-Diacetoxy-2-propoxymethyl)guanine9-(1,3-diacetyloxy-2-propoxymethyl)guanine
Show more names
GXLW-IM-108Ganciclovir DiacetateGanciclovir Impurity 28Ganciclovir impurities811Ciprofloxacin Impurity 22iso-Ganciclovir TriacetateGanciclovir Diacetyl Impurityvalganciclovirhydrochloride iMpurit 1
Ganciclovir Impurity 28(Ganciclovir Diacetate)[3-acetoxy-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]propyl] acetate9-[[2-(Acetyloxy)-1-[(acetyloxy)methyl]ethoxy]methyl]-2-amino-1,9-dihydro-6H-purin-6-one9-[[2-(Acetyloxy)-1-[(acetyloxy)methyl]ethoxy]methyl]-2-amino-1,9-dihydro-6H-purin-6-one; Ganciclovir Di-O-acetate; 6H-Purin-6-one, 9-[[2-(acetyloxy)-1-[(acetyloxy)methyl]ethoxy]methyl]-2-amino-1,9-dihydro-

Database identifiers

CAS
86357-19-9
PubChem CID
135459822
ChEMBL
CHEMBL122526
UNII
NG7NB2E3G7
Nikkaji
J3.531.527F

Properties

Computed structural properties

XLogP
-1.4
Topological polar surface area
147 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
24

Physicochemical properties

Melting point
238 °C · 238°C
Boiling point
475.29 °C · 475.29°C (rough estimate)
Density
1.3014 · 1.3014 (rough estimate)
refractive index
1.65 · 1.6500 (estimate)
Water Solubility
0.58 g/L · 0.58g/L(25 ºC)

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers19 total

艾吉析科技(上海)有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
上海澜克医药科技有限公司021-52216295 lankepharma

Related reactions

9 records

Linked notes

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