(6R,7R,8S)-6-(6-aminopurin-9-yl)-2-(propylamino)-5-oxaspiro[3.4]octane-7,8-diol

C15H22N6O3 — CID 155407628

IUPAC(6R,7R,8S)-6-(6-aminopurin-9-yl)-2-(propylamino)-5-oxaspiro[3.4]octane-7,8-diol
SMILESCCCNC1CC2(C1)O[C@@H](n1cnc3c(N)ncnc31)[C@H](O)[C@@H]2O
InChIInChI=1S/C15H22N6O3/c1-2-3-17-8-4-15(5-8)11(23)10(22)14(24-15)21-7-20-9-12(16)18-6-19-13(9)21/h6-8,10-11,14,17,22-23H,2-5H2,1H3,(H2,16,18,19)/t8?,10-,11+,14-,15?/m1/s1
InChIKeyCGXNQIIZWGYQTB-OMOWTHTFSA-N
MW334.38 g/mol
LogP-0.44
Rot. Bonds4

About (6R,7R,8S)-6-(6-aminopurin-9-yl)-2-(propylamino)-5-oxaspiro[3.4]octane-7,8-diol

(6R,7R,8S)-6-(6-aminopurin-9-yl)-2-(propylamino)-5-oxaspiro[3.4]octane-7,8-diol (PubChem CID 155407628) has the molecular formula C15H22N6O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is (6R,7R,8S)-6-(6-aminopurin-9-yl)-2-(propylamino)-5-oxaspiro[3.4]octane-7,8-diol.

Molecular Properties

Compound Name(6R,7R,8S)-6-(6-aminopurin-9-yl)-2-(propylamino)-5-oxaspiro[3.4]octane-7,8-diol
PubChem CID155407628
Molecular FormulaC15H22N6O3
Molecular Weight334.38 g/mol
Exact Mass334.18
IUPAC Name(6R,7R,8S)-6-(6-aminopurin-9-yl)-2-(propylamino)-5-oxaspiro[3.4]octane-7,8-diol
SMILESCCCNC1CC2(C1)O[C@@H](n1cnc3c(N)ncnc31)[C@H](O)[C@@H]2O
InChIInChI=1S/C15H22N6O3/c1-2-3-17-8-4-15(5-8)11(23)10(22)14(24-15)21-7-20-9-12(16)18-6-19-13(9)21/h6-8,10-11,14,17,22-23H,2-5H2,1H3,(H2,16,18,19)/t8?,10-,11+,14-,15?/m1/s1
InChIKeyCGXNQIIZWGYQTB-OMOWTHTFSA-N
XLogP-0.44
TPSA131.34 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (6R,7R,8S)-6-(6-aminopurin-9-yl)-2-(propylamino)-5-oxaspiro[3.4]octane-7,8-diol with MolForge

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Related Compounds

(2R,3S,5R,6S)-5-(6-aminopurin-9-yl)-2-[[methyl(propyl)amino]methyl]-4-oxaspiro[2.4]heptane-6,7-diol
CID 167564239
(5R)-5-(6-aminopurin-9-yl)-2,2-bis(hydroxymethyl)oxolane-3,4-diol
CID 57078975
(1S,3R,4R,5S)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-4-ol
CID 11425524
(2R,3S,4R)-5-(6-aminopurin-9-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methyloxolane-3,4-diol
CID 160504953
(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diol
CID 59737005
(3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol
CID 174023989
(2R,3S,4R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 59138443
5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 22677627
2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol
CID 21338241
(3R,4R)-6-(6-aminopurin-9-yl)-3-(hydroxymethyl)-5-oxaspiro[3.4]octane-7,8-diol
CID 155408841
(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol
CID 21147838
2-(6-aminopurin-9-yl)-5-ethyl-5-ethynyl-4-methyloxolan-3-ol
CID 21345095

Frequently Asked Questions

What is the IUPAC name of (6R,7R,8S)-6-(6-aminopurin-9-yl)-2-(propylamino)-5-oxaspiro[3.4]octane-7,8-diol?
The IUPAC name of (6R,7R,8S)-6-(6-aminopurin-9-yl)-2-(propylamino)-5-oxaspiro[3.4]octane-7,8-diol (CID 155407628) is (6R,7R,8S)-6-(6-aminopurin-9-yl)-2-(propylamino)-5-oxaspiro[3.4]octane-7,8-diol.
What is the SMILES notation for (6R,7R,8S)-6-(6-aminopurin-9-yl)-2-(propylamino)-5-oxaspiro[3.4]octane-7,8-diol?
The canonical SMILES for (6R,7R,8S)-6-(6-aminopurin-9-yl)-2-(propylamino)-5-oxaspiro[3.4]octane-7,8-diol is CCCNC1CC2(C1)O[C@@H](n1cnc3c(N)ncnc31)[C@H](O)[C@@H]2O.
What is the InChIKey of (6R,7R,8S)-6-(6-aminopurin-9-yl)-2-(propylamino)-5-oxaspiro[3.4]octane-7,8-diol?
The InChIKey is CGXNQIIZWGYQTB-OMOWTHTFSA-N. The full InChI is InChI=1S/C15H22N6O3/c1-2-3-17-8-4-15(5-8)11(23)10(22)14(24-15)21-7-20-9-12(16)18-6-19-13(9)21/h6-8,10-11,14,17,22-23H,2-5H2,1H3,(H2,16,18,19)/t8?,10-,11+,14-,15?/m1/s1.
What are the key properties of (6R,7R,8S)-6-(6-aminopurin-9-yl)-2-(propylamino)-5-oxaspiro[3.4]octane-7,8-diol?
(6R,7R,8S)-6-(6-aminopurin-9-yl)-2-(propylamino)-5-oxaspiro[3.4]octane-7,8-diol has a molecular weight of 334.38 g/mol, XLogP of -0.44, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,8S)-6-(6-aminopurin-9-yl)-2-(propylamino)-5-oxaspiro[3.4]octane-7,8-diol is sourced from PubChem (CID 155407628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).