[5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium

C10H13N5O5P+ — CID 137081386

IUPAC[5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium
SMILESNc1nc2c(ncn2C2CCC(CO[P+](=O)O)O2)c(=O)[nH]1
InChIInChI=1S/C10H12N5O5P/c11-10-13-8-7(9(16)14-10)12-4-15(8)6-2-1-5(20-6)3-19-21(17)18/h4-6H,1-3H2,(H3-,11,13,14,16,17,18)/p+1
InChIKeyHGIQEIONHWDUKR-UHFFFAOYSA-O
MW314.22 g/mol
LogP0.05
Rot. Bonds4

About [5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium

[5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium (PubChem CID 137081386) has the molecular formula C10H13N5O5P+ and a molecular weight of 314.22 g/mol. Its IUPAC name is [5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium
PubChem CID137081386
Molecular FormulaC10H13N5O5P+
Molecular Weight314.22 g/mol
Exact Mass314.06
IUPAC Name[5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium
SMILESNc1nc2c(ncn2C2CCC(CO[P+](=O)O)O2)c(=O)[nH]1
InChIInChI=1S/C10H12N5O5P/c11-10-13-8-7(9(16)14-10)12-4-15(8)6-2-1-5(20-6)3-19-21(17)18/h4-6H,1-3H2,(H3-,11,13,14,16,17,18)/p+1
InChIKeyHGIQEIONHWDUKR-UHFFFAOYSA-O
XLogP0.05
TPSA145.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-sulfanylphosphinous acid
CID 170608283
2-amino-9-[5-(methylphosphanyloxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 142386439
2-amino-9-[(2R,5S)-5-(hydrazinylmethyl)oxolan-2-yl]-1H-purin-6-one
CID 137213095
[[(2S,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 136722914
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium
CID 135566260
sodium [[[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
CID 135445714
[[(2S,3S,5R)-2-[[amino(hydroxy)phosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]amino]-[[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]-oxophosphanium
CID 137421145
[(2R,3S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 137350163
2-amino-9-[5-(1,2-dihydroxyethyl)oxolan-2-yl]-1H-purin-6-one
CID 139569790
2-amino-9-[(2R,6S)-6-(hydroxymethyl)morpholin-2-yl]-1H-purin-6-one
CID 135565717
[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-methyl-4-sulfamoyloxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium
CID 146033936
[[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] 2-[(2-chloroacetyl)amino]ethyl hydrogen phosphate
CID 155014470

Frequently Asked Questions

What is the IUPAC name of [5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium?
The IUPAC name of [5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium (CID 137081386) is [5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium.
What is the SMILES notation for [5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium?
The canonical SMILES for [5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium is Nc1nc2c(ncn2C2CCC(CO[P+](=O)O)O2)c(=O)[nH]1.
What is the InChIKey of [5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium?
The InChIKey is HGIQEIONHWDUKR-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H12N5O5P/c11-10-13-8-7(9(16)14-10)12-4-15(8)6-2-1-5(20-6)3-19-21(17)18/h4-6H,1-3H2,(H3-,11,13,14,16,17,18)/p+1.
What are the key properties of [5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium?
[5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium has a molecular weight of 314.22 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 137081386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).