[(2S,3R,5R)-3-amino-5-(6-methylpurin-9-yl)oxolan-2-yl]methanol

C11H15N5O2 — CID 58834008

IUPAC[(2S,3R,5R)-3-amino-5-(6-methylpurin-9-yl)oxolan-2-yl]methanol
SMILESCc1ncnc2c1ncn2[C@H]1C[C@@H](N)[C@@H](CO)O1
InChIInChI=1S/C11H15N5O2/c1-6-10-11(14-4-13-6)16(5-15-10)9-2-7(12)8(3-17)18-9/h4-5,7-9,17H,2-3,12H2,1H3/t7-,8-,9-/m1/s1
InChIKeyDFZSASZFAZXPQR-IWSPIJDZSA-N
MW249.27 g/mol
LogP-0.26
Rot. Bonds2

About [(2S,3R,5R)-3-amino-5-(6-methylpurin-9-yl)oxolan-2-yl]methanol

[(2S,3R,5R)-3-amino-5-(6-methylpurin-9-yl)oxolan-2-yl]methanol (PubChem CID 58834008) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is [(2S,3R,5R)-3-amino-5-(6-methylpurin-9-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R,5R)-3-amino-5-(6-methylpurin-9-yl)oxolan-2-yl]methanol
PubChem CID58834008
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name[(2S,3R,5R)-3-amino-5-(6-methylpurin-9-yl)oxolan-2-yl]methanol
SMILESCc1ncnc2c1ncn2[C@H]1C[C@@H](N)[C@@H](CO)O1
InChIInChI=1S/C11H15N5O2/c1-6-10-11(14-4-13-6)16(5-15-10)9-2-7(12)8(3-17)18-9/h4-5,7-9,17H,2-3,12H2,1H3/t7-,8-,9-/m1/s1
InChIKeyDFZSASZFAZXPQR-IWSPIJDZSA-N
XLogP-0.26
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
[(2R,3R,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolan-3-yl] benzoate
CID 58403785
2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol
CID 14803552
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978
(2R,3S,4S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4-diol
CID 46181793
(2R,3S,4S,6R)-6-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxane-3,4-diol
CID 21139829
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282
(2S,3aR,6R,6aS)-2-(6-methylpurin-9-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
CID 163826997
(2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 67241978
(2R,3S,4S,5S)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 143417477
(3S,5R,7S)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 173496028

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,5R)-3-amino-5-(6-methylpurin-9-yl)oxolan-2-yl]methanol?
The IUPAC name of [(2S,3R,5R)-3-amino-5-(6-methylpurin-9-yl)oxolan-2-yl]methanol (CID 58834008) is [(2S,3R,5R)-3-amino-5-(6-methylpurin-9-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,3R,5R)-3-amino-5-(6-methylpurin-9-yl)oxolan-2-yl]methanol?
The canonical SMILES for [(2S,3R,5R)-3-amino-5-(6-methylpurin-9-yl)oxolan-2-yl]methanol is Cc1ncnc2c1ncn2[C@H]1C[C@@H](N)[C@@H](CO)O1.
What is the InChIKey of [(2S,3R,5R)-3-amino-5-(6-methylpurin-9-yl)oxolan-2-yl]methanol?
The InChIKey is DFZSASZFAZXPQR-IWSPIJDZSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-6-10-11(14-4-13-6)16(5-15-10)9-2-7(12)8(3-17)18-9/h4-5,7-9,17H,2-3,12H2,1H3/t7-,8-,9-/m1/s1.
What are the key properties of [(2S,3R,5R)-3-amino-5-(6-methylpurin-9-yl)oxolan-2-yl]methanol?
[(2S,3R,5R)-3-amino-5-(6-methylpurin-9-yl)oxolan-2-yl]methanol has a molecular weight of 249.27 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,5R)-3-amino-5-(6-methylpurin-9-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 58834008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).