1-[(2S,3aS,5R,6R)-6-methoxy-5-(methoxymethyl)-3a-phenyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-5-methylpyrimidine-2,4-dione

C20H24N2O6 — CID 101332909

IUPAC1-[(2S,3aS,5R,6R)-6-methoxy-5-(methoxymethyl)-3a-phenyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCOC[C@H]1O[C@]2(c3ccccc3)C[C@@H](n3cc(C)c(=O)[nH]c3=O)OC2[C@@H]1OC
InChIInChI=1S/C20H24N2O6/c1-12-10-22(19(24)21-18(12)23)15-9-20(13-7-5-4-6-8-13)17(27-15)16(26-3)14(28-20)11-25-2/h4-8,10,14-17H,9,11H2,1-3H3,(H,21,23,24)/t14-,15+,16-,17?,20+/m1/s1
InChIKeyQKUNOXREOFTGTJ-GYRRLKRRSA-N
MW388.42 g/mol
LogP1.09
Rot. Bonds5

About 1-[(2S,3aS,5R,6R)-6-methoxy-5-(methoxymethyl)-3a-phenyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2S,3aS,5R,6R)-6-methoxy-5-(methoxymethyl)-3a-phenyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 101332909) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-[(2S,3aS,5R,6R)-6-methoxy-5-(methoxymethyl)-3a-phenyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2S,3aS,5R,6R)-6-methoxy-5-(methoxymethyl)-3a-phenyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID101332909
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name1-[(2S,3aS,5R,6R)-6-methoxy-5-(methoxymethyl)-3a-phenyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCOC[C@H]1O[C@]2(c3ccccc3)C[C@@H](n3cc(C)c(=O)[nH]c3=O)OC2[C@@H]1OC
InChIInChI=1S/C20H24N2O6/c1-12-10-22(19(24)21-18(12)23)15-9-20(13-7-5-4-6-8-13)17(27-15)16(26-3)14(28-20)11-25-2/h4-8,10,14-17H,9,11H2,1-3H3,(H,21,23,24)/t14-,15+,16-,17?,20+/m1/s1
InChIKeyQKUNOXREOFTGTJ-GYRRLKRRSA-N
XLogP1.09
TPSA91.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2S,3aS,5R,6R)-6-methoxy-5-(methoxymethyl)-3a-phenyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2S,4R,5S)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90702057
1-[(4S,5R)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 68952088
[(2S,3aS,5R,6R,6aR)-3a-(2-bromophenyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl] acetate
CID 11664841
1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59957186
1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 71028658
1-[(2S,5R)-5-(hydroxymethyl)-5-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 102285706
5-methyl-1-[(2R,5S)-5-(phenylsulfanyloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 142887795
1-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylideneamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 122535836
1-[(2R,3aR,4R,5S,6R,6aR)-4,5-dihydroxy-3a,6-bis(phenylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10896129
1-[(2R,3aR,6R,6aR)-3a,6-bis(phenylmethoxy)-2,3,6,6a-tetrahydrocyclopenta[b]furan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10837093
methanethiol;[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxythallium
CID 142985854
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
CID 170193041

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3aS,5R,6R)-6-methoxy-5-(methoxymethyl)-3a-phenyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2S,3aS,5R,6R)-6-methoxy-5-(methoxymethyl)-3a-phenyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-5-methylpyrimidine-2,4-dione (CID 101332909) is 1-[(2S,3aS,5R,6R)-6-methoxy-5-(methoxymethyl)-3a-phenyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2S,3aS,5R,6R)-6-methoxy-5-(methoxymethyl)-3a-phenyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2S,3aS,5R,6R)-6-methoxy-5-(methoxymethyl)-3a-phenyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-5-methylpyrimidine-2,4-dione is COC[C@H]1O[C@]2(c3ccccc3)C[C@@H](n3cc(C)c(=O)[nH]c3=O)OC2[C@@H]1OC.
What is the InChIKey of 1-[(2S,3aS,5R,6R)-6-methoxy-5-(methoxymethyl)-3a-phenyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is QKUNOXREOFTGTJ-GYRRLKRRSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-12-10-22(19(24)21-18(12)23)15-9-20(13-7-5-4-6-8-13)17(27-15)16(26-3)14(28-20)11-25-2/h4-8,10,14-17H,9,11H2,1-3H3,(H,21,23,24)/t14-,15+,16-,17?,20+/m1/s1.
What are the key properties of 1-[(2S,3aS,5R,6R)-6-methoxy-5-(methoxymethyl)-3a-phenyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2S,3aS,5R,6R)-6-methoxy-5-(methoxymethyl)-3a-phenyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 388.42 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3aS,5R,6R)-6-methoxy-5-(methoxymethyl)-3a-phenyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 101332909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).