(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(4-methylcyclohexyl)oxolane-2-carboxamide

C17H24N6O4 — CID 10738295

IUPAC(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(4-methylcyclohexyl)oxolane-2-carboxamide
SMILESCC1CCC(NC(=O)[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1
InChIInChI=1S/C17H24N6O4/c1-8-2-4-9(5-3-8)22-16(26)13-11(24)12(25)17(27-13)23-7-21-10-14(18)19-6-20-15(10)23/h6-9,11-13,17,24-25H,2-5H2,1H3,(H,22,26)(H2,18,19,20)/t8?,9?,11-,12+,13-,17+/m0/s1
InChIKeyRTKWIDBXPQNBNM-SUCQIMDBSA-N
MW376.42 g/mol
LogP-0.28
Rot. Bonds3

About (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(4-methylcyclohexyl)oxolane-2-carboxamide

(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(4-methylcyclohexyl)oxolane-2-carboxamide (PubChem CID 10738295) has the molecular formula C17H24N6O4 and a molecular weight of 376.42 g/mol. Its IUPAC name is (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(4-methylcyclohexyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(4-methylcyclohexyl)oxolane-2-carboxamide
PubChem CID10738295
Molecular FormulaC17H24N6O4
Molecular Weight376.42 g/mol
Exact Mass376.19
IUPAC Name(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(4-methylcyclohexyl)oxolane-2-carboxamide
SMILESCC1CCC(NC(=O)[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1
InChIInChI=1S/C17H24N6O4/c1-8-2-4-9(5-3-8)22-16(26)13-11(24)12(25)17(27-13)23-7-21-10-14(18)19-6-20-15(10)23/h6-9,11-13,17,24-25H,2-5H2,1H3,(H,22,26)(H2,18,19,20)/t8?,9?,11-,12+,13-,17+/m0/s1
InChIKeyRTKWIDBXPQNBNM-SUCQIMDBSA-N
XLogP-0.28
TPSA148.41 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(4-methylcyclohexyl)oxolane-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(4-methylcyclohexyl)oxolane-2-carboxamide?
The IUPAC name of (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(4-methylcyclohexyl)oxolane-2-carboxamide (CID 10738295) is (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(4-methylcyclohexyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(4-methylcyclohexyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(4-methylcyclohexyl)oxolane-2-carboxamide is CC1CCC(NC(=O)[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)CC1.
What is the InChIKey of (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(4-methylcyclohexyl)oxolane-2-carboxamide?
The InChIKey is RTKWIDBXPQNBNM-SUCQIMDBSA-N. The full InChI is InChI=1S/C17H24N6O4/c1-8-2-4-9(5-3-8)22-16(26)13-11(24)12(25)17(27-13)23-7-21-10-14(18)19-6-20-15(10)23/h6-9,11-13,17,24-25H,2-5H2,1H3,(H,22,26)(H2,18,19,20)/t8?,9?,11-,12+,13-,17+/m0/s1.
What are the key properties of (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(4-methylcyclohexyl)oxolane-2-carboxamide?
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(4-methylcyclohexyl)oxolane-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of -0.28, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(4-methylcyclohexyl)oxolane-2-carboxamide is sourced from PubChem (CID 10738295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).