(5R,6R)-4-(6-aminopurin-9-yl)-8-oxaspiro[5.6]dodec-10-en-5-ol

C16H21N5O2 — CID 91670775

IUPAC(5R,6R)-4-(6-aminopurin-9-yl)-8-oxaspiro[5.6]dodec-10-en-5-ol
SMILESNc1ncnc2c1ncn2C1CCC[C@]2(CC=CCOC2)[C@H]1O
InChIInChI=1S/C16H21N5O2/c17-14-12-15(19-9-18-14)21(10-20-12)11-4-3-6-16(13(11)22)5-1-2-7-23-8-16/h1-2,9-11,13,22H,3-8H2,(H2,17,18,19)/t11?,13-,16-/m0/s1
InChIKeyACJYBPGWUPHYJI-DKGPUHFJSA-N
MW315.38 g/mol
LogP1.46
Rot. Bonds1

About (5R,6R)-4-(6-aminopurin-9-yl)-8-oxaspiro[5.6]dodec-10-en-5-ol

(5R,6R)-4-(6-aminopurin-9-yl)-8-oxaspiro[5.6]dodec-10-en-5-ol (PubChem CID 91670775) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (5R,6R)-4-(6-aminopurin-9-yl)-8-oxaspiro[5.6]dodec-10-en-5-ol.

Molecular Properties

Compound Name(5R,6R)-4-(6-aminopurin-9-yl)-8-oxaspiro[5.6]dodec-10-en-5-ol
PubChem CID91670775
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(5R,6R)-4-(6-aminopurin-9-yl)-8-oxaspiro[5.6]dodec-10-en-5-ol
SMILESNc1ncnc2c1ncn2C1CCC[C@]2(CC=CCOC2)[C@H]1O
InChIInChI=1S/C16H21N5O2/c17-14-12-15(19-9-18-14)21(10-20-12)11-4-3-6-16(13(11)22)5-1-2-7-23-8-16/h1-2,9-11,13,22H,3-8H2,(H2,17,18,19)/t11?,13-,16-/m0/s1
InChIKeyACJYBPGWUPHYJI-DKGPUHFJSA-N
XLogP1.46
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol
CID 11737444
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
(3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol
CID 174023989
(3R,4R)-6-(6-aminopurin-9-yl)-3-(hydroxymethyl)-5-oxaspiro[3.4]octane-7,8-diol
CID 155408841
2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol
CID 10681944
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine
CID 10584868
[5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol
CID 167504350
3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride
CID 23209333
(1R,2S,3R,5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)-3-methylcyclopentane-1,2-diol
CID 102512363
[3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]methanol
CID 19775067
9-(6-methyloxan-2-yl)purin-6-amine
CID 91511498

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-4-(6-aminopurin-9-yl)-8-oxaspiro[5.6]dodec-10-en-5-ol?
The IUPAC name of (5R,6R)-4-(6-aminopurin-9-yl)-8-oxaspiro[5.6]dodec-10-en-5-ol (CID 91670775) is (5R,6R)-4-(6-aminopurin-9-yl)-8-oxaspiro[5.6]dodec-10-en-5-ol.
What is the SMILES notation for (5R,6R)-4-(6-aminopurin-9-yl)-8-oxaspiro[5.6]dodec-10-en-5-ol?
The canonical SMILES for (5R,6R)-4-(6-aminopurin-9-yl)-8-oxaspiro[5.6]dodec-10-en-5-ol is Nc1ncnc2c1ncn2C1CCC[C@]2(CC=CCOC2)[C@H]1O.
What is the InChIKey of (5R,6R)-4-(6-aminopurin-9-yl)-8-oxaspiro[5.6]dodec-10-en-5-ol?
The InChIKey is ACJYBPGWUPHYJI-DKGPUHFJSA-N. The full InChI is InChI=1S/C16H21N5O2/c17-14-12-15(19-9-18-14)21(10-20-12)11-4-3-6-16(13(11)22)5-1-2-7-23-8-16/h1-2,9-11,13,22H,3-8H2,(H2,17,18,19)/t11?,13-,16-/m0/s1.
What are the key properties of (5R,6R)-4-(6-aminopurin-9-yl)-8-oxaspiro[5.6]dodec-10-en-5-ol?
(5R,6R)-4-(6-aminopurin-9-yl)-8-oxaspiro[5.6]dodec-10-en-5-ol has a molecular weight of 315.38 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-4-(6-aminopurin-9-yl)-8-oxaspiro[5.6]dodec-10-en-5-ol is sourced from PubChem (CID 91670775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).