[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol

C11H16N5O3P — CID 170179293

IUPAC[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol
SMILESNc1ncnc2c1ncn2C1CCC(COPCO)O1
InChIInChI=1S/C11H16N5O3P/c12-10-9-11(14-4-13-10)16(5-15-9)8-2-1-7(19-8)3-18-20-6-17/h4-5,7-8,17,20H,1-3,6H2,(H2,12,13,14)
InChIKeyHUGRLFGXXNIJRW-UHFFFAOYSA-N
MW297.26 g/mol
LogP0.65
Rot. Bonds5

About [5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol

[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol (PubChem CID 170179293) has the molecular formula C11H16N5O3P and a molecular weight of 297.26 g/mol. Its IUPAC name is [5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol.

Molecular Properties

Compound Name[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol
PubChem CID170179293
Molecular FormulaC11H16N5O3P
Molecular Weight297.26 g/mol
Exact Mass297.10
IUPAC Name[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol
SMILESNc1ncnc2c1ncn2C1CCC(COPCO)O1
InChIInChI=1S/C11H16N5O3P/c12-10-9-11(14-4-13-10)16(5-15-9)8-2-1-7(19-8)3-18-20-6-17/h4-5,7-8,17,20H,1-3,6H2,(H2,12,13,14)
InChIKeyHUGRLFGXXNIJRW-UHFFFAOYSA-N
XLogP0.65
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite
CID 138569278
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
CID 131872177
CID 131872177
sodium [[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 46176227
9-[5-(trityloxymethyl)oxolan-2-yl]purin-6-amine
CID 18516769
sodium [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphoryl] phosphate
CID 23689368
[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methylthiourea
CID 142299425
N'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine
CID 123204035
9-[(2R,5S)-5-[2-[amino(hydroxy)phosphinothioyl]oxyethyl]oxolan-2-yl]purin-6-amine
CID 163488341
9-[5-(4H-1,3,2-benzodioxaphosphinin-2-yloxymethyl)oxolan-2-yl]purin-6-amine
CID 144900469
[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315

Frequently Asked Questions

What is the IUPAC name of [5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol?
The IUPAC name of [5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol (CID 170179293) is [5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol.
What is the SMILES notation for [5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol?
The canonical SMILES for [5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol is Nc1ncnc2c1ncn2C1CCC(COPCO)O1.
What is the InChIKey of [5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol?
The InChIKey is HUGRLFGXXNIJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N5O3P/c12-10-9-11(14-4-13-10)16(5-15-9)8-2-1-7(19-8)3-18-20-6-17/h4-5,7-8,17,20H,1-3,6H2,(H2,12,13,14).
What are the key properties of [5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol?
[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol has a molecular weight of 297.26 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol is sourced from PubChem (CID 170179293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).