이름: 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)OMolecular Processing
Molecular formula
C12H15N5O6
Molecular weight
325.28
Exact mass
325.1022
XLogP
-2.44
TPSA
165.84
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
73.68
Supplementary Information
InChIKey: XUVKSWAVDVDRGD-QCDLCRNHSA-N
동의어
adenosine-5'-carboxylic acid methyl esterSCHEMBL11131647XUVKSWAVDVDRGD-QCDLCRNHSA-N
4개 반응에 참여→