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

C11H15N5O3 — CID 10355487

IUPAC[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxolan-2-yl]methanol
SMILESCOc1nc(N)nc2c1ncn2[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C11H15N5O3/c1-18-10-8-9(14-11(12)15-10)16(5-13-8)7-3-2-6(4-17)19-7/h5-7,17H,2-4H2,1H3,(H2,12,14,15)/t6-,7+/m0/s1
InChIKeyFJAOCNGVPLTSLD-NKWVEPMBSA-N
MW265.27 g/mol
LogP0.09
Rot. Bonds3

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

[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxolan-2-yl]methanol (PubChem CID 10355487) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is [(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxolan-2-yl]methanol
PubChem CID10355487
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxolan-2-yl]methanol
SMILESCOc1nc(N)nc2c1ncn2[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C11H15N5O3/c1-18-10-8-9(14-11(12)15-10)16(5-13-8)7-3-2-6(4-17)19-7/h5-7,17H,2-4H2,1H3,(H2,12,14,15)/t6-,7+/m0/s1
InChIKeyFJAOCNGVPLTSLD-NKWVEPMBSA-N
XLogP0.09
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxolan-2-yl]methanol (CID 10355487) is [(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxolan-2-yl]methanol is COc1nc(N)nc2c1ncn2[C@H]1CC[C@@H](CO)O1.
What is the InChIKey of [(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxolan-2-yl]methanol?
The InChIKey is FJAOCNGVPLTSLD-NKWVEPMBSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-18-10-8-9(14-11(12)15-10)16(5-13-8)7-3-2-6(4-17)19-7/h5-7,17H,2-4H2,1H3,(H2,12,14,15)/t6-,7+/m0/s1.
What are the key properties of [(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxolan-2-yl]methanol?
[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxolan-2-yl]methanol has a molecular weight of 265.27 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 10355487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).