5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol

C12H17N5O4 — CID 19076332

IUPAC5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol
SMILESCOCC1OC(n2cnc3c(N)ncnc32)C(OC)C1O
InChIInChI=1S/C12H17N5O4/c1-19-3-6-8(18)9(20-2)12(21-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18H,3H2,1-2H3,(H2,13,14,15)
InChIKeyULQYCJVGLOQHJT-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.67
Rot. Bonds4

About 5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol

5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol (PubChem CID 19076332) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol
PubChem CID19076332
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC Name5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol
SMILESCOCC1OC(n2cnc3c(N)ncnc32)C(OC)C1O
InChIInChI=1S/C12H17N5O4/c1-19-3-6-8(18)9(20-2)12(21-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18H,3H2,1-2H3,(H2,13,14,15)
InChIKeyULQYCJVGLOQHJT-UHFFFAOYSA-N
XLogP-0.67
TPSA117.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 58319615
9-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 56634843
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxolan-3-ol
CID 11069295
[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl dihydrogen phosphate
CID 172638487
(2R,3S,4S,5R,6R,7R)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methoxyoxepane-3,4,5-triol
CID 58940512
9-[4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 76759659
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(2,2-diphenylethoxymethyl)-4-methoxyoxolan-3-ol
CID 18642999
[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dimethoxyoxolan-2-yl]methanol
CID 6481828
[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid
CID 155792881
trilithium;[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
CID 71744269
9-[(2R,3R,4R,5R)-3-(2-ethoxyethoxymethoxy)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 155196415
(3R,4S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethoxymethyl)oxolane-3,4-diol
CID 145155590

Frequently Asked Questions

What is the IUPAC name of 5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol?
The IUPAC name of 5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol (CID 19076332) is 5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol.
What is the SMILES notation for 5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol?
The canonical SMILES for 5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol is COCC1OC(n2cnc3c(N)ncnc32)C(OC)C1O.
What is the InChIKey of 5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol?
The InChIKey is ULQYCJVGLOQHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4/c1-19-3-6-8(18)9(20-2)12(21-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18H,3H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol?
5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol has a molecular weight of 295.30 g/mol, XLogP of -0.67, 4 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)-4-methoxy-2-(methoxymethyl)oxolan-3-ol is sourced from PubChem (CID 19076332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).