6-[[2-(4-phenylphenyl)-7H-purin-8-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

C23H20N4O4 — CID 123823181

IUPAC6-[[2-(4-phenylphenyl)-7H-purin-8-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESOC1COC2C(Oc3nc4nc(-c5ccc(-c6ccccc6)cc5)ncc4[nH]3)COC12
InChIInChI=1S/C23H20N4O4/c28-17-11-29-20-18(12-30-19(17)20)31-23-25-16-10-24-21(26-22(16)27-23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-10,17-20,28H,11-12H2,(H,24,25,26,27)
InChIKeyLHMJAIYKKVKAPN-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.59
Rot. Bonds4

About 6-[[2-(4-phenylphenyl)-7H-purin-8-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

6-[[2-(4-phenylphenyl)-7H-purin-8-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (PubChem CID 123823181) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 6-[[2-(4-phenylphenyl)-7H-purin-8-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.

Molecular Properties

Compound Name6-[[2-(4-phenylphenyl)-7H-purin-8-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
PubChem CID123823181
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name6-[[2-(4-phenylphenyl)-7H-purin-8-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESOC1COC2C(Oc3nc4nc(-c5ccc(-c6ccccc6)cc5)ncc4[nH]3)COC12
InChIInChI=1S/C23H20N4O4/c28-17-11-29-20-18(12-30-19(17)20)31-23-25-16-10-24-21(26-22(16)27-23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-10,17-20,28H,11-12H2,(H,24,25,26,27)
InChIKeyLHMJAIYKKVKAPN-UHFFFAOYSA-N
XLogP2.59
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-phenylphenyl)-7H-purin-8-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The IUPAC name of 6-[[2-(4-phenylphenyl)-7H-purin-8-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (CID 123823181) is 6-[[2-(4-phenylphenyl)-7H-purin-8-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.
What is the SMILES notation for 6-[[2-(4-phenylphenyl)-7H-purin-8-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The canonical SMILES for 6-[[2-(4-phenylphenyl)-7H-purin-8-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is OC1COC2C(Oc3nc4nc(-c5ccc(-c6ccccc6)cc5)ncc4[nH]3)COC12.
What is the InChIKey of 6-[[2-(4-phenylphenyl)-7H-purin-8-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The InChIKey is LHMJAIYKKVKAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c28-17-11-29-20-18(12-30-19(17)20)31-23-25-16-10-24-21(26-22(16)27-23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-10,17-20,28H,11-12H2,(H,24,25,26,27).
What are the key properties of 6-[[2-(4-phenylphenyl)-7H-purin-8-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
6-[[2-(4-phenylphenyl)-7H-purin-8-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol has a molecular weight of 416.44 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-phenylphenyl)-7H-purin-8-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is sourced from PubChem (CID 123823181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).