[(2S,5R)-5-[6-(2-methoxyethyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate

C13H19N4O6P — CID 155703606

IUPAC[(2S,5R)-5-[6-(2-methoxyethyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
SMILESCOCCc1ncnc2c1ncn2[C@H]1CC[C@@H](COP(=O)(O)O)O1
InChIInChI=1S/C13H19N4O6P/c1-21-5-4-10-12-13(15-7-14-10)17(8-16-12)11-3-2-9(23-11)6-22-24(18,19)20/h7-9,11H,2-6H2,1H3,(H2,18,19,20)/t9-,11+/m0/s1
InChIKeyUSQXDMQWOCOAMG-GXSJLCMTSA-N
MW358.29 g/mol
LogP0.80
Rot. Bonds7

About [(2S,5R)-5-[6-(2-methoxyethyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate

[(2S,5R)-5-[6-(2-methoxyethyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate (PubChem CID 155703606) has the molecular formula C13H19N4O6P and a molecular weight of 358.29 g/mol. Its IUPAC name is [(2S,5R)-5-[6-(2-methoxyethyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[(2S,5R)-5-[6-(2-methoxyethyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
PubChem CID155703606
Molecular FormulaC13H19N4O6P
Molecular Weight358.29 g/mol
Exact Mass358.10
IUPAC Name[(2S,5R)-5-[6-(2-methoxyethyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
SMILESCOCCc1ncnc2c1ncn2[C@H]1CC[C@@H](COP(=O)(O)O)O1
InChIInChI=1S/C13H19N4O6P/c1-21-5-4-10-12-13(15-7-14-10)17(8-16-12)11-3-2-9(23-11)6-22-24(18,19)20/h7-9,11H,2-6H2,1H3,(H2,18,19,20)/t9-,11+/m0/s1
InChIKeyUSQXDMQWOCOAMG-GXSJLCMTSA-N
XLogP0.80
TPSA128.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2S,5R)-5-[6-(2-methoxyethyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;butane;ethane;pentan-2-ol
CID 145362148
[(2S,5R)-5-[6-(4-aminobutylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
CID 101140941
CID 131872177
CID 131872177
sodium [[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 46176227
sodium [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphoryl] phosphate
CID 23689368
acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane
CID 169190106
[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
[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-[(4-methoxyphenyl)methylsulfanyl]phosphinic acid
CID 155077532
[dibromo-[[[5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid
CID 88958813
9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136592210
[(2R,3S,5R)-5-(6-amino-8-oxo-7H-purin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 175626169
[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 146511040

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-[6-(2-methoxyethyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate?
The IUPAC name of [(2S,5R)-5-[6-(2-methoxyethyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate (CID 155703606) is [(2S,5R)-5-[6-(2-methoxyethyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [(2S,5R)-5-[6-(2-methoxyethyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate?
The canonical SMILES for [(2S,5R)-5-[6-(2-methoxyethyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate is COCCc1ncnc2c1ncn2[C@H]1CC[C@@H](COP(=O)(O)O)O1.
What is the InChIKey of [(2S,5R)-5-[6-(2-methoxyethyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate?
The InChIKey is USQXDMQWOCOAMG-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H19N4O6P/c1-21-5-4-10-12-13(15-7-14-10)17(8-16-12)11-3-2-9(23-11)6-22-24(18,19)20/h7-9,11H,2-6H2,1H3,(H2,18,19,20)/t9-,11+/m0/s1.
What are the key properties of [(2S,5R)-5-[6-(2-methoxyethyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate?
[(2S,5R)-5-[6-(2-methoxyethyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate has a molecular weight of 358.29 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-[6-(2-methoxyethyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 155703606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).