(4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol

C10H11N5O3 — CID 135258372

IUPAC(4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol
SMILESNc1ncnc2c1ncn2C1OC2COC2[C@H]1O
InChIInChI=1S/C10H11N5O3/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(18-10)1-17-7/h2-4,6-7,10,16H,1H2,(H2,11,12,13)/t4?,6-,7?,10?/m1/s1
InChIKeySDEAOJDQCWVDBI-LLIYOGGQSA-N
MW249.23 g/mol
LogP-0.93
Rot. Bonds1

About (4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol

(4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol (PubChem CID 135258372) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is (4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol.

Molecular Properties

Compound Name(4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol
PubChem CID135258372
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name(4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol
SMILESNc1ncnc2c1ncn2C1OC2COC2[C@H]1O
InChIInChI=1S/C10H11N5O3/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(18-10)1-17-7/h2-4,6-7,10,16H,1H2,(H2,11,12,13)/t4?,6-,7?,10?/m1/s1
InChIKeySDEAOJDQCWVDBI-LLIYOGGQSA-N
XLogP-0.93
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol with MolForge

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Related Compounds

6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
CID 142072673
(6R,7aR)-6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol;phosphenous acid
CID 142072687
(1S,6R,8R,9R,10S,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol
CID 102336501
(4aS,6R,7aR)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
CID 59909322
calcium;(4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;hydride;phosphane
CID 173089235
(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diol
CID 59737005
(6aR,8S)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 59891160
(6aR,8R,9aR)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 2783865
(1S,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-18-fluoro-3,12-dihydroxy-17-(6-methylpurin-9-yl)-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-9-ol
CID 158276975
disodium;(1R,6R,8R,9R,10S,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dioxo-3,12-disulfido-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecane-9,18-diol
CID 164708338
(1S,6R,8R,9R,10S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3-oxo-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol
CID 163847690
[(1R,2S,4R,5R)-4-(6-aminopurin-9-yl)-3,6-dioxabicyclo[3.2.0]heptan-2-yl]methanol
CID 10563492

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol?
The IUPAC name of (4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol (CID 135258372) is (4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol.
What is the SMILES notation for (4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol?
The canonical SMILES for (4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol is Nc1ncnc2c1ncn2C1OC2COC2[C@H]1O.
What is the InChIKey of (4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol?
The InChIKey is SDEAOJDQCWVDBI-LLIYOGGQSA-N. The full InChI is InChI=1S/C10H11N5O3/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(18-10)1-17-7/h2-4,6-7,10,16H,1H2,(H2,11,12,13)/t4?,6-,7?,10?/m1/s1.
What are the key properties of (4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol?
(4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol has a molecular weight of 249.23 g/mol, XLogP of -0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol is sourced from PubChem (CID 135258372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).