[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite

C11H16N5O4P — CID 138569278

IUPAC[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite
SMILESCOP(O)OCC1CCC(n2cnc3c(N)ncnc32)O1
InChIInChI=1S/C11H16N5O4P/c1-18-21(17)19-4-7-2-3-8(20-7)16-6-15-9-10(12)13-5-14-11(9)16/h5-8,17H,2-4H2,1H3,(H2,12,13,14)
InChIKeyWZIRAKIPGBGWIR-UHFFFAOYSA-N
MW313.25 g/mol
LogP0.97
Rot. Bonds5

About [5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite

[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite (PubChem CID 138569278) has the molecular formula C11H16N5O4P and a molecular weight of 313.25 g/mol. Its IUPAC name is [5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite.

Molecular Properties

Compound Name[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite
PubChem CID138569278
Molecular FormulaC11H16N5O4P
Molecular Weight313.25 g/mol
Exact Mass313.09
IUPAC Name[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite
SMILESCOP(O)OCC1CCC(n2cnc3c(N)ncnc32)O1
InChIInChI=1S/C11H16N5O4P/c1-18-21(17)19-4-7-2-3-8(20-7)16-6-15-9-10(12)13-5-14-11(9)16/h5-8,17H,2-4H2,1H3,(H2,12,13,14)
InChIKeyWZIRAKIPGBGWIR-UHFFFAOYSA-N
XLogP0.97
TPSA117.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol
CID 170179293
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl propan-2-yl hydrogen phosphite
CID 144900448
2-[4-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methoxyphosphanyl]oxy-4-oxobutanoyl]benzoic acid
CID 145288504
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
CID 131872177
CID 131872177
[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphite;[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;methanol
CID 176553645
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

Frequently Asked Questions

What is the IUPAC name of [5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite?
The IUPAC name of [5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite (CID 138569278) is [5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite.
What is the SMILES notation for [5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite?
The canonical SMILES for [5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite is COP(O)OCC1CCC(n2cnc3c(N)ncnc32)O1.
What is the InChIKey of [5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite?
The InChIKey is WZIRAKIPGBGWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N5O4P/c1-18-21(17)19-4-7-2-3-8(20-7)16-6-15-9-10(12)13-5-14-11(9)16/h5-8,17H,2-4H2,1H3,(H2,12,13,14).
What are the key properties of [5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite?
[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite has a molecular weight of 313.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite is sourced from PubChem (CID 138569278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).