[3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]methanol

C11H13N5O3 — CID 19775067

IUPAC[3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]methanol
SMILESNc1ncnc2c1ncn2C1CC2OCC2(CO)O1
InChIInChI=1S/C11H13N5O3/c12-9-8-10(14-4-13-9)16(5-15-8)7-1-6-11(2-17,19-7)3-18-6/h4-7,17H,1-3H2,(H2,12,13,14)
InChIKeyQMMDQYXQORSYGR-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.54
Rot. Bonds2

About [3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]methanol

[3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]methanol (PubChem CID 19775067) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is [3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]methanol.

Molecular Properties

Compound Name[3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]methanol
PubChem CID19775067
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name[3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]methanol
SMILESNc1ncnc2c1ncn2C1CC2OCC2(CO)O1
InChIInChI=1S/C11H13N5O3/c12-9-8-10(14-4-13-9)16(5-15-8)7-1-6-11(2-17,19-7)3-18-6/h4-7,17H,1-3H2,(H2,12,13,14)
InChIKeyQMMDQYXQORSYGR-UHFFFAOYSA-N
XLogP-0.54
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(1R,4R,7S)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-ol
CID 164664901
[5-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxolan-3-yl]methanol
CID 11630346
[(2S,3S,5R)-3-amino-5-(6-aminopurin-9-yl)-2-ethynyloxolan-2-yl]methanol
CID 170544097
(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbaldehyde
CID 144664797
(2R,5R)-5-(6-aminopurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol
CID 59968635
[(1S,3R,7R)-3-(6-aminopurin-9-yl)-7-tert-butyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
CID 155640394
(1S,3R,4R,5S)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-4-ol
CID 11425524
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-2-yl]methanol
CID 18650236
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
[(2R,5R)-5-(6-aminopurin-9-yl)-2-methoxyoxolan-2-yl]methanol
CID 67785258
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978

Frequently Asked Questions

What is the IUPAC name of [3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]methanol?
The IUPAC name of [3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]methanol (CID 19775067) is [3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]methanol.
What is the SMILES notation for [3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]methanol?
The canonical SMILES for [3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]methanol is Nc1ncnc2c1ncn2C1CC2OCC2(CO)O1.
What is the InChIKey of [3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]methanol?
The InChIKey is QMMDQYXQORSYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c12-9-8-10(14-4-13-9)16(5-15-8)7-1-6-11(2-17,19-7)3-18-6/h4-7,17H,1-3H2,(H2,12,13,14).
What are the key properties of [3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]methanol?
[3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]methanol has a molecular weight of 263.26 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]methanol is sourced from PubChem (CID 19775067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).