(2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol

C13H17N5O2 — CID 11737444

IUPAC(2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol
SMILESNc1ncnc2c1ncn2[C@H]1CC[C@]2(CCC[C@@H]2O)O1
InChIInChI=1S/C13H17N5O2/c14-11-10-12(16-6-15-11)18(7-17-10)9-3-5-13(20-9)4-1-2-8(13)19/h6-9,19H,1-5H2,(H2,14,15,16)/t8-,9+,13-/m0/s1
InChIKeyOVFVEBAVTOWPLW-RWEMILLDSA-N
MW275.31 g/mol
LogP1.00
Rot. Bonds1

About (2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol

(2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol (PubChem CID 11737444) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol.

Molecular Properties

Compound Name(2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol
PubChem CID11737444
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name(2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol
SMILESNc1ncnc2c1ncn2[C@H]1CC[C@]2(CCC[C@@H]2O)O1
InChIInChI=1S/C13H17N5O2/c14-11-10-12(16-6-15-11)18(7-17-10)9-3-5-13(20-9)4-1-2-8(13)19/h6-9,19H,1-5H2,(H2,14,15,16)/t8-,9+,13-/m0/s1
InChIKeyOVFVEBAVTOWPLW-RWEMILLDSA-N
XLogP1.00
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R,5R)-5-(6-aminopurin-9-yl)-2-methoxyoxolan-2-yl]methanol
CID 67785258
(3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol
CID 174023989
(2S)-2-amino-4-[[(5R)-5-(6-aminopurin-9-yl)-4-oxaspiro[2.4]heptan-2-yl]sulfanyl]butanoic acid
CID 163532900
(5R,6R)-4-(6-aminopurin-9-yl)-8-oxaspiro[5.6]dodec-10-en-5-ol
CID 91670775
(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
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
[5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol
CID 167504350
9-[(4aR,7aS)-2,2-dihydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium-6-yl]purin-6-amine
CID 140503398
9-(6-methyloxan-2-yl)purin-6-amine
CID 91511498
(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

Frequently Asked Questions

What is the IUPAC name of (2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol?
The IUPAC name of (2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol (CID 11737444) is (2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol.
What is the SMILES notation for (2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol?
The canonical SMILES for (2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol is Nc1ncnc2c1ncn2[C@H]1CC[C@]2(CCC[C@@H]2O)O1.
What is the InChIKey of (2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol?
The InChIKey is OVFVEBAVTOWPLW-RWEMILLDSA-N. The full InChI is InChI=1S/C13H17N5O2/c14-11-10-12(16-6-15-11)18(7-17-10)9-3-5-13(20-9)4-1-2-8(13)19/h6-9,19H,1-5H2,(H2,14,15,16)/t8-,9+,13-/m0/s1.
What are the key properties of (2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol?
(2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol has a molecular weight of 275.31 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol is sourced from PubChem (CID 11737444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).