(2S,3S,4R,5R)-5-(6-amino-2-cyclopentyloxypurin-9-yl)-2-(fluoromethyl)-4-(hydroxymethyl)oxolan-3-ol

C16H22FN5O4 — CID 24753075

IUPAC(2S,3S,4R,5R)-5-(6-amino-2-cyclopentyloxypurin-9-yl)-2-(fluoromethyl)-4-(hydroxymethyl)oxolan-3-ol
SMILESNc1nc(OC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1CO
InChIInChI=1S/C16H22FN5O4/c17-5-10-12(24)9(6-23)15(26-10)22-7-19-11-13(18)20-16(21-14(11)22)25-8-3-1-2-4-8/h7-10,12,15,23-24H,1-6H2,(H2,18,20,21)/t9-,10-,12+,15-/m1/s1
InChIKeyUOMOJFDYAVWSBT-DSKWVYQCSA-N
MW367.38 g/mol
LogP0.57
Rot. Bonds5

About (2S,3S,4R,5R)-5-(6-amino-2-cyclopentyloxypurin-9-yl)-2-(fluoromethyl)-4-(hydroxymethyl)oxolan-3-ol

(2S,3S,4R,5R)-5-(6-amino-2-cyclopentyloxypurin-9-yl)-2-(fluoromethyl)-4-(hydroxymethyl)oxolan-3-ol (PubChem CID 24753075) has the molecular formula C16H22FN5O4 and a molecular weight of 367.38 g/mol. Its IUPAC name is (2S,3S,4R,5R)-5-(6-amino-2-cyclopentyloxypurin-9-yl)-2-(fluoromethyl)-4-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-5-(6-amino-2-cyclopentyloxypurin-9-yl)-2-(fluoromethyl)-4-(hydroxymethyl)oxolan-3-ol
PubChem CID24753075
Molecular FormulaC16H22FN5O4
Molecular Weight367.38 g/mol
Exact Mass367.17
IUPAC Name(2S,3S,4R,5R)-5-(6-amino-2-cyclopentyloxypurin-9-yl)-2-(fluoromethyl)-4-(hydroxymethyl)oxolan-3-ol
SMILESNc1nc(OC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1CO
InChIInChI=1S/C16H22FN5O4/c17-5-10-12(24)9(6-23)15(26-10)22-7-19-11-13(18)20-16(21-14(11)22)25-8-3-1-2-4-8/h7-10,12,15,23-24H,1-6H2,(H2,18,20,21)/t9-,10-,12+,15-/m1/s1
InChIKeyUOMOJFDYAVWSBT-DSKWVYQCSA-N
XLogP0.57
TPSA128.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2S,3S,4R,5R)-5-(6-amino-2-cyclopentyloxypurin-9-yl)-2-(fluoromethyl)-4-(hydroxymethyl)oxolan-3-ol 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

2-(6-amino-2-cyclohexyloxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 14842853
(2R,3R,4S,5R)-2-(6-amino-2-cyclopentyloxypurin-9-yl)-5-[(Z)-3-hydroxyprop-1-enyl]oxolane-3,4-diol
CID 68935114
(2R,3S,4R,5R)-4-amino-5-(6-amino-2-cyclopentyloxypurin-9-yl)-2-methyloxolan-3-ol
CID 68931311
(3R,4S,5S)-2-(6-amino-2-cyclopentyloxypurin-9-yl)-5-(fluoromethyl)-2-(hydroxymethyl)oxolane-3,4-diol
CID 68823937
(2R,3R,4R,5R)-5-(6-amino-2-cyclopentyloxypurin-9-yl)-4-bromo-2-methyloxolan-3-ol
CID 68933383
(3S,4R,5R)-2-(6-amino-2-cyclopentyloxypurin-9-yl)-4-ethylsulfonyl-5-methyloxolan-3-ol
CID 68933568
(2R,3R,4S,5R)-2-[6-amino-2-(4-methylcyclohexyl)oxypurin-9-yl]-5-methyloxolane-3,4-diol
CID 56670160
(2R,3R,4S,5R)-2-(6-amino-2-cyclopentyloxypurin-9-yl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 68934015
1-[[(2R,3S,4R,5R)-5-(6-amino-2-cyclopentyloxypurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]tetrazole-5-carboxylic acid
CID 68937186
(3S,4R,5S)-2-[6-amino-2-(2-cyclohexylethoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46874471
2-[6-amino-2-(2-cyclohexylethoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 14842857
(2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol
CID 86627780

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-5-(6-amino-2-cyclopentyloxypurin-9-yl)-2-(fluoromethyl)-4-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2S,3S,4R,5R)-5-(6-amino-2-cyclopentyloxypurin-9-yl)-2-(fluoromethyl)-4-(hydroxymethyl)oxolan-3-ol (CID 24753075) is (2S,3S,4R,5R)-5-(6-amino-2-cyclopentyloxypurin-9-yl)-2-(fluoromethyl)-4-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2S,3S,4R,5R)-5-(6-amino-2-cyclopentyloxypurin-9-yl)-2-(fluoromethyl)-4-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2S,3S,4R,5R)-5-(6-amino-2-cyclopentyloxypurin-9-yl)-2-(fluoromethyl)-4-(hydroxymethyl)oxolan-3-ol is Nc1nc(OC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1CO.
What is the InChIKey of (2S,3S,4R,5R)-5-(6-amino-2-cyclopentyloxypurin-9-yl)-2-(fluoromethyl)-4-(hydroxymethyl)oxolan-3-ol?
The InChIKey is UOMOJFDYAVWSBT-DSKWVYQCSA-N. The full InChI is InChI=1S/C16H22FN5O4/c17-5-10-12(24)9(6-23)15(26-10)22-7-19-11-13(18)20-16(21-14(11)22)25-8-3-1-2-4-8/h7-10,12,15,23-24H,1-6H2,(H2,18,20,21)/t9-,10-,12+,15-/m1/s1.
What are the key properties of (2S,3S,4R,5R)-5-(6-amino-2-cyclopentyloxypurin-9-yl)-2-(fluoromethyl)-4-(hydroxymethyl)oxolan-3-ol?
(2S,3S,4R,5R)-5-(6-amino-2-cyclopentyloxypurin-9-yl)-2-(fluoromethyl)-4-(hydroxymethyl)oxolan-3-ol has a molecular weight of 367.38 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-5-(6-amino-2-cyclopentyloxypurin-9-yl)-2-(fluoromethyl)-4-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 24753075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).