[5-(2-amino-6-methoxypurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxophosphanium

C12H17N5O5P+ — CID 123760627

IUPAC[5-(2-amino-6-methoxypurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxophosphanium
SMILESCOc1nc(N)nc2c1ncn2C1OC(CO[PH+]=O)C(O)C1C
InChIInChI=1S/C12H17N5O5P/c1-5-8(18)6(3-21-23-19)22-11(5)17-4-14-7-9(17)15-12(13)16-10(7)20-2/h4-6,8,11,18,23H,3H2,1-2H3,(H2,13,15,16)/q+1
InChIKeyBWQIOMTZPPFUDO-UHFFFAOYSA-N
MW342.27 g/mol
LogP0.27
Rot. Bonds5

About [5-(2-amino-6-methoxypurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxophosphanium

[5-(2-amino-6-methoxypurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxophosphanium (PubChem CID 123760627) has the molecular formula C12H17N5O5P+ and a molecular weight of 342.27 g/mol. Its IUPAC name is [5-(2-amino-6-methoxypurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxophosphanium.

Molecular Properties

Compound Name[5-(2-amino-6-methoxypurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxophosphanium
PubChem CID123760627
Molecular FormulaC12H17N5O5P+
Molecular Weight342.27 g/mol
Exact Mass342.10
IUPAC Name[5-(2-amino-6-methoxypurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxophosphanium
SMILESCOc1nc(N)nc2c1ncn2C1OC(CO[PH+]=O)C(O)C1C
InChIInChI=1S/C12H17N5O5P/c1-5-8(18)6(3-21-23-19)22-11(5)17-4-14-7-9(17)15-12(13)16-10(7)20-2/h4-6,8,11,18,23H,3H2,1-2H3,(H2,13,15,16)/q+1
InChIKeyBWQIOMTZPPFUDO-UHFFFAOYSA-N
XLogP0.27
TPSA134.61 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59824768
[[(2R,3S,4S,5R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 87288297
(2R,5R,6R)-2-(2-amino-6-methoxypurin-9-yl)-6-(hydroxymethyl)oxane-3,5-diol
CID 148902630
tetralithium;[[[5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 171323053
[(2R,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-N-benzylphosphonamidic acid
CID 118550453
(2R,5R)-2-(2,6-diaminopurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol
CID 69050482
9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine
CID 144592425
[(2R,3S,4S)-5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 3-deuterio-2,2-dimethylpropanoate
CID 139791374
(2R,3R,4R,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol
CID 137381020
(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689
(2R,5R)-5-(2-amino-6-methoxypurin-9-yl)-4,4-dibromo-2-(hydroxymethyl)oxolan-3-ol
CID 154011880
3-[[(3S,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]pentan-3-yloxy-(2-hydroxybutan-2-yl)phosphinic acid
CID 146606599

Frequently Asked Questions

What is the IUPAC name of [5-(2-amino-6-methoxypurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxophosphanium?
The IUPAC name of [5-(2-amino-6-methoxypurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxophosphanium (CID 123760627) is [5-(2-amino-6-methoxypurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxophosphanium.
What is the SMILES notation for [5-(2-amino-6-methoxypurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxophosphanium?
The canonical SMILES for [5-(2-amino-6-methoxypurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxophosphanium is COc1nc(N)nc2c1ncn2C1OC(CO[PH+]=O)C(O)C1C.
What is the InChIKey of [5-(2-amino-6-methoxypurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxophosphanium?
The InChIKey is BWQIOMTZPPFUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O5P/c1-5-8(18)6(3-21-23-19)22-11(5)17-4-14-7-9(17)15-12(13)16-10(7)20-2/h4-6,8,11,18,23H,3H2,1-2H3,(H2,13,15,16)/q+1.
What are the key properties of [5-(2-amino-6-methoxypurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxophosphanium?
[5-(2-amino-6-methoxypurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxophosphanium has a molecular weight of 342.27 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-amino-6-methoxypurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxophosphanium is sourced from PubChem (CID 123760627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).