(3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol

C12H15N5O4 — CID 174023989

IUPAC(3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@@]2(CC[C@H]2O)C(O)C1O
InChIInChI=1S/C12H15N5O4/c13-9-6-10(15-3-14-9)17(4-16-6)11-7(19)8(20)12(21-11)2-1-5(12)18/h3-5,7-8,11,18-20H,1-2H2,(H2,13,14,15)/t5-,7?,8?,11-,12-/m1/s1
InChIKeyRDDHXRKHONTGOQ-AJJWXSESSA-N
MW293.28 g/mol
LogP-1.45
Rot. Bonds1

About (3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol

(3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol (PubChem CID 174023989) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is (3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol.

Molecular Properties

Compound Name(3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol
PubChem CID174023989
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name(3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@@]2(CC[C@H]2O)C(O)C1O
InChIInChI=1S/C12H15N5O4/c13-9-6-10(15-3-14-9)17(4-16-6)11-7(19)8(20)12(21-11)2-1-5(12)18/h3-5,7-8,11,18-20H,1-2H2,(H2,13,14,15)/t5-,7?,8?,11-,12-/m1/s1
InChIKeyRDDHXRKHONTGOQ-AJJWXSESSA-N
XLogP-1.45
TPSA139.54 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol with MolForge

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Related Compounds

(3R,4R)-6-(6-aminopurin-9-yl)-3-(hydroxymethyl)-5-oxaspiro[3.4]octane-7,8-diol
CID 155408841
(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,5R,6S)-5-(6-aminopurin-9-yl)-2-[[methyl(propyl)amino]methyl]-4-oxaspiro[2.4]heptane-6,7-diol
CID 167564239
(1S,2S)-7-(6-aminopurin-9-yl)-8-oxatricyclo[3.3.0.01,4]octane-2,5,6-triol
CID 155408927
(2R,3S,4R)-5-(6-aminopurin-9-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methyloxolane-3,4-diol
CID 160504953
(2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol
CID 11737444
(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol
CID 21147838
(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
(6R,7R,8S)-6-(6-aminopurin-9-yl)-2-(propylamino)-5-oxaspiro[3.4]octane-7,8-diol
CID 155407628
(2S,5R)-5-(6-aminopurin-9-yl)-2-azido-2-(iodomethyl)oxolane-3,4-diol
CID 57038042

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol?
The IUPAC name of (3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol (CID 174023989) is (3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol.
What is the SMILES notation for (3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol?
The canonical SMILES for (3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol is Nc1ncnc2c1ncn2[C@@H]1O[C@@]2(CC[C@H]2O)C(O)C1O.
What is the InChIKey of (3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol?
The InChIKey is RDDHXRKHONTGOQ-AJJWXSESSA-N. The full InChI is InChI=1S/C12H15N5O4/c13-9-6-10(15-3-14-9)17(4-16-6)11-7(19)8(20)12(21-11)2-1-5(12)18/h3-5,7-8,11,18-20H,1-2H2,(H2,13,14,15)/t5-,7?,8?,11-,12-/m1/s1.
What are the key properties of (3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol?
(3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol has a molecular weight of 293.28 g/mol, XLogP of -1.45, 1 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol is sourced from PubChem (CID 174023989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).