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

C10H11N5O3 — CID 57107632

IUPAC[(2S,5R)-5-(6-nitrosopurin-9-yl)oxolan-2-yl]methanol
SMILESO=Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C10H11N5O3/c16-3-6-1-2-7(18-6)15-5-13-8-9(14-17)11-4-12-10(8)15/h4-7,16H,1-3H2/t6-,7+/m0/s1
InChIKeyUCPUJZQQLGXVCA-NKWVEPMBSA-N
MW249.23 g/mol
LogP0.89
Rot. Bonds3

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

[(2S,5R)-5-(6-nitrosopurin-9-yl)oxolan-2-yl]methanol (PubChem CID 57107632) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is [(2S,5R)-5-(6-nitrosopurin-9-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-(6-nitrosopurin-9-yl)oxolan-2-yl]methanol
PubChem CID57107632
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name[(2S,5R)-5-(6-nitrosopurin-9-yl)oxolan-2-yl]methanol
SMILESO=Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C10H11N5O3/c16-3-6-1-2-7(18-6)15-5-13-8-9(14-17)11-4-12-10(8)15/h4-7,16H,1-3H2/t6-,7+/m0/s1
InChIKeyUCPUJZQQLGXVCA-NKWVEPMBSA-N
XLogP0.89
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
[(2S,5S)-5-(6-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 67868000
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
[5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol
CID 71339758
[(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 54592375
9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137132957
[5-[6-(prop-2-ynylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142808553
[(2S,5R)-5-(6-isocyanatopurin-9-yl)oxolan-2-yl]methyl acetate
CID 155062707
[(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142470459
[5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol
CID 123399954
N-[9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]octadecanamide
CID 139604638

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(6-nitrosopurin-9-yl)oxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-(6-nitrosopurin-9-yl)oxolan-2-yl]methanol (CID 57107632) is [(2S,5R)-5-(6-nitrosopurin-9-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-(6-nitrosopurin-9-yl)oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-(6-nitrosopurin-9-yl)oxolan-2-yl]methanol is O=Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1.
What is the InChIKey of [(2S,5R)-5-(6-nitrosopurin-9-yl)oxolan-2-yl]methanol?
The InChIKey is UCPUJZQQLGXVCA-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H11N5O3/c16-3-6-1-2-7(18-6)15-5-13-8-9(14-17)11-4-12-10(8)15/h4-7,16H,1-3H2/t6-,7+/m0/s1.
What are the key properties of [(2S,5R)-5-(6-nitrosopurin-9-yl)oxolan-2-yl]methanol?
[(2S,5R)-5-(6-nitrosopurin-9-yl)oxolan-2-yl]methanol has a molecular weight of 249.23 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(6-nitrosopurin-9-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 57107632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).