2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium

C14H21N5O5P+ — CID 123836908

IUPAC2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium
SMILESCCOc1nc(N)nc2c1ncn2C1OC(CCO[P+](=O)O)CC1C
InChIInChI=1S/C14H20N5O5P/c1-3-22-12-10-11(17-14(15)18-12)19(7-16-10)13-8(2)6-9(24-13)4-5-23-25(20)21/h7-9,13H,3-6H2,1-2H3,(H2-,15,17,18,20,21)/p+1
InChIKeyMOYZBQYTTYUVQH-UHFFFAOYSA-O
MW370.33 g/mol
LogP1.79
Rot. Bonds7

About 2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium

2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium (PubChem CID 123836908) has the molecular formula C14H21N5O5P+ and a molecular weight of 370.33 g/mol. Its IUPAC name is 2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium
PubChem CID123836908
Molecular FormulaC14H21N5O5P+
Molecular Weight370.33 g/mol
Exact Mass370.13
IUPAC Name2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium
SMILESCCOc1nc(N)nc2c1ncn2C1OC(CCO[P+](=O)O)CC1C
InChIInChI=1S/C14H20N5O5P/c1-3-22-12-10-11(17-14(15)18-12)19(7-16-10)13-8(2)6-9(24-13)4-5-23-25(20)21/h7-9,13H,3-6H2,1-2H3,(H2-,15,17,18,20,21)/p+1
InChIKeyMOYZBQYTTYUVQH-UHFFFAOYSA-O
XLogP1.79
TPSA134.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 51.79
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

(2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 144948843
[(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57116771
[[6-ethoxy-9-[5-(hydroxymethyl)-3-methyloxolan-2-yl]purin-2-yl]amino]thallium
CID 144654161
2-[[[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]acetic acid
CID 123685936
9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-N-methylpurine-2,6-diamine
CID 145444543
[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl propanoate
CID 167258822
propan-2-yl 2-[[[(2S,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 144606348
propan-2-yl (2S)-2-[[[(2S,4S)-5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 144606342
ethane;[5-[6-ethoxy-2-(propylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;fluoromethane
CID 144828838
[(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane
CID 145444491
9-[(2R,5R)-3,5-dimethyloxolan-2-yl]-6-methoxypurin-2-amine
CID 144592425
[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl 3-methylbutanoate
CID 166530844

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium?
The IUPAC name of 2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium (CID 123836908) is 2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium.
What is the SMILES notation for 2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium?
The canonical SMILES for 2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium is CCOc1nc(N)nc2c1ncn2C1OC(CCO[P+](=O)O)CC1C.
What is the InChIKey of 2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium?
The InChIKey is MOYZBQYTTYUVQH-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20N5O5P/c1-3-22-12-10-11(17-14(15)18-12)19(7-16-10)13-8(2)6-9(24-13)4-5-23-25(20)21/h7-9,13H,3-6H2,1-2H3,(H2-,15,17,18,20,21)/p+1.
What are the key properties of 2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium?
2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium has a molecular weight of 370.33 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 123836908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).