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

C11H15N5O4 — CID 57250206

IUPAC[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxyoxolan-2-yl]methanol
SMILESCOc1nc(N)nc2c1ncn2O[C@@H]1CC[C@@H](CO)O1
InChIInChI=1S/C11H15N5O4/c1-18-10-8-9(14-11(12)15-10)16(5-13-8)20-7-3-2-6(4-17)19-7/h5-7,17H,2-4H2,1H3,(H2,12,14,15)/t6-,7+/m0/s1
InChIKeyYPLRXMIEMCCMLA-NKWVEPMBSA-N
MW281.27 g/mol
LogP-0.66
Rot. Bonds4

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

[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxyoxolan-2-yl]methanol (PubChem CID 57250206) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is [(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxyoxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxyoxolan-2-yl]methanol
PubChem CID57250206
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxyoxolan-2-yl]methanol
SMILESCOc1nc(N)nc2c1ncn2O[C@@H]1CC[C@@H](CO)O1
InChIInChI=1S/C11H15N5O4/c1-18-10-8-9(14-11(12)15-10)16(5-13-8)20-7-3-2-6(4-17)19-7/h5-7,17H,2-4H2,1H3,(H2,12,14,15)/t6-,7+/m0/s1
InChIKeyYPLRXMIEMCCMLA-NKWVEPMBSA-N
XLogP-0.66
TPSA117.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

9-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-6-methoxypurin-2-amine
CID 19813631
(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689
(2R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59824768
[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 10611561
(2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol
CID 148902630
(2R,3S,5R)-3-amino-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 139619795
(2R,5R)-5-(2-amino-6-methoxypurin-9-yl)-4,4-dibromo-2-(hydroxymethyl)oxolan-3-ol
CID 154011880
(5R,6R,8R,9R)-6-(2-amino-6-methoxypurin-9-yl)-8-(hydroxymethyl)-1,7-dioxaspiro[4.4]nonan-9-ol
CID 67772128
2-(2-amino-6-aminooxypurin-9-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 143758641
(2R,3R,5R)-5-(2-amino-6-methoxypurin-9-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
CID 57276380
(2R,3S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 58455338
(2R,3R,4S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 140693358

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxyoxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxyoxolan-2-yl]methanol (CID 57250206) is [(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxyoxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxyoxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxyoxolan-2-yl]methanol is COc1nc(N)nc2c1ncn2O[C@@H]1CC[C@@H](CO)O1.
What is the InChIKey of [(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxyoxolan-2-yl]methanol?
The InChIKey is YPLRXMIEMCCMLA-NKWVEPMBSA-N. The full InChI is InChI=1S/C11H15N5O4/c1-18-10-8-9(14-11(12)15-10)16(5-13-8)20-7-3-2-6(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)oxyoxolan-2-yl]methanol?
[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxyoxolan-2-yl]methanol has a molecular weight of 281.27 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxyoxolan-2-yl]methanol is sourced from PubChem (CID 57250206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).