9-[(3aR,5R,6S)-6-methoxy-3a-(methoxymethyl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]purin-6-amine

C14H19N5O4 — CID 59133676

IUPAC9-[(3aR,5R,6S)-6-methoxy-3a-(methoxymethyl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]purin-6-amine
SMILESCOC[C@]12CCOC1[C@H](OC)[C@H](n1cnc3c(N)ncnc31)O2
InChIInChI=1S/C14H19N5O4/c1-20-5-14-3-4-22-10(14)9(21-2)13(23-14)19-7-18-8-11(15)16-6-17-12(8)19/h6-7,9-10,13H,3-5H2,1-2H3,(H2,15,16,17)/t9-,10?,13+,14+/m0/s1
InChIKeySKYJWHZBKXVGQR-AIHGEPKZSA-N
MW321.34 g/mol
LogP0.13
Rot. Bonds4

About 9-[(3aR,5R,6S)-6-methoxy-3a-(methoxymethyl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]purin-6-amine

9-[(3aR,5R,6S)-6-methoxy-3a-(methoxymethyl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]purin-6-amine (PubChem CID 59133676) has the molecular formula C14H19N5O4 and a molecular weight of 321.34 g/mol. Its IUPAC name is 9-[(3aR,5R,6S)-6-methoxy-3a-(methoxymethyl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(3aR,5R,6S)-6-methoxy-3a-(methoxymethyl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]purin-6-amine
PubChem CID59133676
Molecular FormulaC14H19N5O4
Molecular Weight321.34 g/mol
Exact Mass321.14
IUPAC Name9-[(3aR,5R,6S)-6-methoxy-3a-(methoxymethyl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]purin-6-amine
SMILESCOC[C@]12CCOC1[C@H](OC)[C@H](n1cnc3c(N)ncnc31)O2
InChIInChI=1S/C14H19N5O4/c1-20-5-14-3-4-22-10(14)9(21-2)13(23-14)19-7-18-8-11(15)16-6-17-12(8)19/h6-7,9-10,13H,3-5H2,1-2H3,(H2,15,16,17)/t9-,10?,13+,14+/m0/s1
InChIKeySKYJWHZBKXVGQR-AIHGEPKZSA-N
XLogP0.13
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 9-[(3aR,5R,6S)-6-methoxy-3a-(methoxymethyl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]purin-6-amine with MolForge

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Related Compounds

9-[(5R)-8-methoxy-5-(methoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]purin-6-amine
CID 134232043
9-[(5S,7R,8R)-5,8-diethyl-2,6-dioxabicyclo[3.2.1]octan-7-yl]purin-6-amine
CID 58159391
9-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 56634843
9-[(5S,7R)-5-ethyl-8-[hydroxy(methoxy)phosphinothioyl]oxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]purin-6-amine
CID 88951944
[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dimethoxyoxolan-2-yl]methanol
CID 6481828
5-(6-aminopurin-9-yl)-4-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 19076332
(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 58319615
9-[4-methoxy-3-(2-methoxyethoxy)-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 76759659
[(1R,3R,4S)-3-(6-aminopurin-9-yl)-7-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-methylphosphinic acid
CID 123868370
(1S)-3-(6-aminopurin-9-yl)-1-(methoxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol
CID 166979984
(2R,3S,4S,5R,6R,7R)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methoxyoxepane-3,4,5-triol
CID 58940512
[(1S)-3-(6-aminopurin-9-yl)-7-methoxyspiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-1-yl]methanol
CID 166979998

Frequently Asked Questions

What is the IUPAC name of 9-[(3aR,5R,6S)-6-methoxy-3a-(methoxymethyl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]purin-6-amine?
The IUPAC name of 9-[(3aR,5R,6S)-6-methoxy-3a-(methoxymethyl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]purin-6-amine (CID 59133676) is 9-[(3aR,5R,6S)-6-methoxy-3a-(methoxymethyl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]purin-6-amine.
What is the SMILES notation for 9-[(3aR,5R,6S)-6-methoxy-3a-(methoxymethyl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]purin-6-amine?
The canonical SMILES for 9-[(3aR,5R,6S)-6-methoxy-3a-(methoxymethyl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]purin-6-amine is COC[C@]12CCOC1[C@H](OC)[C@H](n1cnc3c(N)ncnc31)O2.
What is the InChIKey of 9-[(3aR,5R,6S)-6-methoxy-3a-(methoxymethyl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]purin-6-amine?
The InChIKey is SKYJWHZBKXVGQR-AIHGEPKZSA-N. The full InChI is InChI=1S/C14H19N5O4/c1-20-5-14-3-4-22-10(14)9(21-2)13(23-14)19-7-18-8-11(15)16-6-17-12(8)19/h6-7,9-10,13H,3-5H2,1-2H3,(H2,15,16,17)/t9-,10?,13+,14+/m0/s1.
What are the key properties of 9-[(3aR,5R,6S)-6-methoxy-3a-(methoxymethyl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]purin-6-amine?
9-[(3aR,5R,6S)-6-methoxy-3a-(methoxymethyl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]purin-6-amine has a molecular weight of 321.34 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3aR,5R,6S)-6-methoxy-3a-(methoxymethyl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]purin-6-amine is sourced from PubChem (CID 59133676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).