Nombre: methyl 2-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate

SMILES: COC(=O)C(C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)O

Molecular Processing

Molecular formula

C12H15N5O6

Molecular weight

325.28

Exact mass

325.1022

XLogP

-2.44

TPSA

165.84

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.5

Molar refractivity

73.68

Supplementary Information

InChIKey: XUVKSWAVDVDRGD-QCDLCRNHSA-N

Sinónimos

adenosine-5'-carboxylic acid methyl esterSCHEMBL11131647XUVKSWAVDVDRGD-QCDLCRNHSA-N