CC(C)CSC[C@H]1O[C@@H](n2cnc3c(=O)nc[nH]c32)[C@H](O)[C@@H]1O
CAS: 67739-76-8
Nombre: 9-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(2-methylpropylsulfanylmethyl)oxolan-2-yl]-1H-purin-6-one
SMILES: CC(C)CSC[C@H]1O[C@@H](n2cnc3c(=O)nc[nH]c32)[C@H](O)[C@@H]1O

Molecular Processing

Molecular formula
C14H20N4O4S
Molecular weight
340.41
Exact mass
340.1205
XLogP
0.13
TPSA
113.26
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.643
Molar refractivity
86.24

Supplementary Information

InChIKey: CMFIWMWBTZQTQH-IDTAVKCVSA-N
Sinónimos
5'-Isobutylthioinosine5'-Dibti67739-76-8RefChem:1008255'-Deoxy-5'-isobutylthioinosineInosine, 5'-S-(2-methylpropyl)-5'-thio-SibiCHEMBL4469174SCHEMBL29355218DTXSID50987074CMFIWMWBTZQTQH-IDTAVKCVSA-N9-[5-S-(2-Methylpropyl)-5-thiopentofuranosyl]-9H-purin-6-ol9-[5-S-(2-Methylpropyl)-5-thio-beta-D-ribofuranosyl]-9H-purin-6-ol
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