[(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol

C10H12N4O4 — CID 10037827

IUPAC[(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol
SMILESCOc1ncnc2c1ncn2[C@H]1CO[C@H](CO)O1
InChIInChI=1S/C10H12N4O4/c1-16-10-8-9(11-4-12-10)14(5-13-8)6-3-17-7(2-15)18-6/h4-7,15H,2-3H2,1H3/t6-,7+/m1/s1
InChIKeyBCHSZIJLJINNKF-RQJHMYQMSA-N
MW252.23 g/mol
LogP-0.30
Rot. Bonds3

About [(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol

[(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol (PubChem CID 10037827) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is [(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol
PubChem CID10037827
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name[(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol
SMILESCOc1ncnc2c1ncn2[C@H]1CO[C@H](CO)O1
InChIInChI=1S/C10H12N4O4/c1-16-10-8-9(11-4-12-10)14(5-13-8)6-3-17-7(2-15)18-6/h4-7,15H,2-3H2,1H3/t6-,7+/m1/s1
InChIKeyBCHSZIJLJINNKF-RQJHMYQMSA-N
XLogP-0.30
TPSA91.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol with MolForge

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Related Compounds

[4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145902
2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol
CID 14803552
5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol
CID 76803071
(3R,4R,5R)-5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)-3-methyloxolane-3,4-diol
CID 46877246
[4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145907
[(2R,3R,4S,5R)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-propanoyloxyoxolan-3-yl] propanoate
CID 15115677
CID 90086112
CID 90086112
[(2S,3R,5R)-3-amino-5-(6-methylpurin-9-yl)oxolan-2-yl]methanol
CID 58834008
9-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-3H-purine-6-thione
CID 3000449
4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5H-imidazo[4,5-c]pyridin-6-one
CID 90890538
[9-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl] acetate
CID 54449040
(2S,3R,5R)-5-(2-bromo-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 87921806

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol (CID 10037827) is [(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol is COc1ncnc2c1ncn2[C@H]1CO[C@H](CO)O1.
What is the InChIKey of [(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol?
The InChIKey is BCHSZIJLJINNKF-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H12N4O4/c1-16-10-8-9(11-4-12-10)14(5-13-8)6-3-17-7(2-15)18-6/h4-7,15H,2-3H2,1H3/t6-,7+/m1/s1.
What are the key properties of [(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol?
[(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol has a molecular weight of 252.23 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol is sourced from PubChem (CID 10037827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).