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

C12H17N5O4 — CID 144948843

IUPAC(2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
SMILESCCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O
InChIInChI=1S/C12H17N5O4/c1-2-20-10-8-9(15-12(13)16-10)17(5-14-8)11-7(19)3-6(4-18)21-11/h5-7,11,18-19H,2-4H2,1H3,(H2,13,15,16)/t6-,7+,11+/m0/s1
InChIKeySKCFEWBPLUZDMJ-MVKOHCKWSA-N
MW295.30 g/mol
LogP-0.55
Rot. Bonds4

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

(2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol (PubChem CID 144948843) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is (2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
PubChem CID144948843
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC Name(2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
SMILESCCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O
InChIInChI=1S/C12H17N5O4/c1-2-20-10-8-9(15-12(13)16-10)17(5-14-8)11-7(19)3-6(4-18)21-11/h5-7,11,18-19H,2-4H2,1H3,(H2,13,15,16)/t6-,7+,11+/m0/s1
InChIKeySKCFEWBPLUZDMJ-MVKOHCKWSA-N
XLogP-0.55
TPSA128.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(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

[(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57116771
2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 13160027
(2R,3S,4R,5R)-4-amino-5-(2-amino-6-ethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 90445106
(2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol
CID 148902630
(3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 143600600
[[6-ethoxy-9-[5-(hydroxymethyl)-3-methyloxolan-2-yl]purin-2-yl]amino]thallium
CID 144654161
(2R,3S,4R,5R)-4-amino-5-(2-amino-6-ethoxypurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 66576345
5-(2-amino-6-ethoxypurin-9-yl)-4,4-dichloro-2-(hydroxymethyl)oxolan-3-ol
CID 123846486
5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol
CID 76803071
2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium
CID 123836908
(2R,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 118391681
(2R,3R,5S)-2-[6-amino-2-(chloromethoxy)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 67669536

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol (CID 144948843) is (2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol is CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O.
What is the InChIKey of (2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol?
The InChIKey is SKCFEWBPLUZDMJ-MVKOHCKWSA-N. The full InChI is InChI=1S/C12H17N5O4/c1-2-20-10-8-9(15-12(13)16-10)17(5-14-8)11-7(19)3-6(4-18)21-11/h5-7,11,18-19H,2-4H2,1H3,(H2,13,15,16)/t6-,7+,11+/m0/s1.
What are the key properties of (2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol?
(2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol has a molecular weight of 295.30 g/mol, XLogP of -0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 144948843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).