(2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(quinolin-2-ylsulfanylmethyl)oxolane-3,4-diol

C19H18N6O3S — CID 155315102

IUPAC(2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(quinolin-2-ylsulfanylmethyl)oxolane-3,4-diol
SMILESNc1ncnc2c1ncn2[C@@H]1OC(CSc2ccc3ccccc3n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C19H18N6O3S/c20-17-14-18(22-8-21-17)25(9-23-14)19-16(27)15(26)12(28-19)7-29-13-6-5-10-3-1-2-4-11(10)24-13/h1-6,8-9,12,15-16,19,26-27H,7H2,(H2,20,21,22)/t12?,15-,16-,19-/m1/s1
InChIKeySGSWFEQDPUFITR-XFWKGRBESA-N
MW410.46 g/mol
LogP1.37
Rot. Bonds4

About (2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(quinolin-2-ylsulfanylmethyl)oxolane-3,4-diol

(2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(quinolin-2-ylsulfanylmethyl)oxolane-3,4-diol (PubChem CID 155315102) has the molecular formula C19H18N6O3S and a molecular weight of 410.46 g/mol. Its IUPAC name is (2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(quinolin-2-ylsulfanylmethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(quinolin-2-ylsulfanylmethyl)oxolane-3,4-diol
PubChem CID155315102
Molecular FormulaC19H18N6O3S
Molecular Weight410.46 g/mol
Exact Mass410.12
IUPAC Name(2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(quinolin-2-ylsulfanylmethyl)oxolane-3,4-diol
SMILESNc1ncnc2c1ncn2[C@@H]1OC(CSc2ccc3ccccc3n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C19H18N6O3S/c20-17-14-18(22-8-21-17)25(9-23-14)19-16(27)15(26)12(28-19)7-29-13-6-5-10-3-1-2-4-11(10)24-13/h1-6,8-9,12,15-16,19,26-27H,7H2,(H2,20,21,22)/t12?,15-,16-,19-/m1/s1
InChIKeySGSWFEQDPUFITR-XFWKGRBESA-N
XLogP1.37
TPSA132.20 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(quinolin-2-ylsulfanylmethyl)oxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(naphthalen-2-ylsulfanylmethyl)oxolane-3,4-diol
CID 155315103
2-(6-aminopurin-9-yl)-5-(indazol-1-ylmethylsulfanylmethyl)oxolane-3,4-diol
CID 134460145
(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diol
CID 59737005
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(1-fluoroethylsulfanylmethyl)oxolane-3,4-diol
CID 67733104
[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl thiocyanate
CID 5032106
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
(2R,3R,4S,5R)-2-(6-(15N)azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11129405
(2S,3S,4R)-2-[(6-amino-1H-benzimidazol-2-yl)sulfanylmethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
CID 142801965
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 18755237

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(quinolin-2-ylsulfanylmethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(quinolin-2-ylsulfanylmethyl)oxolane-3,4-diol (CID 155315102) is (2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(quinolin-2-ylsulfanylmethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(quinolin-2-ylsulfanylmethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(quinolin-2-ylsulfanylmethyl)oxolane-3,4-diol is Nc1ncnc2c1ncn2[C@@H]1OC(CSc2ccc3ccccc3n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(quinolin-2-ylsulfanylmethyl)oxolane-3,4-diol?
The InChIKey is SGSWFEQDPUFITR-XFWKGRBESA-N. The full InChI is InChI=1S/C19H18N6O3S/c20-17-14-18(22-8-21-17)25(9-23-14)19-16(27)15(26)12(28-19)7-29-13-6-5-10-3-1-2-4-11(10)24-13/h1-6,8-9,12,15-16,19,26-27H,7H2,(H2,20,21,22)/t12?,15-,16-,19-/m1/s1.
What are the key properties of (2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(quinolin-2-ylsulfanylmethyl)oxolane-3,4-diol?
(2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(quinolin-2-ylsulfanylmethyl)oxolane-3,4-diol has a molecular weight of 410.46 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(quinolin-2-ylsulfanylmethyl)oxolane-3,4-diol is sourced from PubChem (CID 155315102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).