Iso ganciclovir

C₉H₁₃N₅O₄CAS 86357-09-7255.23 g/mol

Open in Covalent MOL file

Alcohol Ether Primary amine

Properties

Molecular formula: C₉H₁₃N₅O₄
Molar mass: 255.23 g/mol
Exact mass: 255.0968 Da
logP: -1.97Crippen estimate
Polar surface area: 139.3 Å²
H-bond donors / acceptors: 4 / 7
Rotatable bonds: 5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

86357-09-7

SMILES

C1=NC2=C(N1COCC(CO)O)N=C(NC2=O)N

InChIKey

YMJRISBBXAOKCD-UHFFFAOYSA-N

InChI

InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-2-5(16)1-15/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)

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Names and synonyms

1 names

9-((2,3-Dihydroxy-1-propoxy)methyl)guanine

Work with Iso ganciclovir

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-9-(((1RS)-2-chloro-1-(hydroxymethyl)ethoxy)methyl)-1,9-dihydro-6H-purin-6-one108436-36-864 % similar 3'-Deoxyguanosine3608-58-053 % similar 2'-Deoxy-2'-fluoroguanosine78842-13-450 % similar (1R,3R,4R)-Entecavir1367369-76-348 % similar 2-Amino-9-((1S,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1,9-dihydro-6H-purin-6-one1367369-77-448 % similar (1'S,3'S,4'S)-Entecavir isomer1367369-80-948 % similar 2-Amino-9-((1R,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1H-purin-6(9H)-one188399-46-448 % similar 2'-Gmp12237-24-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ganciclovir82410-32-0

Elsewhere

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