1-[(2R,3R,5S)-5-ethyl-3-hydroxy-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,5S)-5-ethyl-3-methyl-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione

C43H58N4O9 — CID 160579516

IUPAC1-[(2R,3R,5S)-5-ethyl-3-hydroxy-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,5S)-5-ethyl-3-methyl-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCCC[C@]1(CC)O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](C)C1OCc1ccccc1.CCC[C@]1(CC)O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](O)C1OCc1ccccc1
InChIInChI=1S/C22H30N2O4.C21H28N2O5/c1-5-12-22(6-2)18(27-14-17-10-8-7-9-11-17)16(4)20(28-22)24-13-15(3)19(25)23-21(24)26;1-4-11-21(5-2)17(27-13-15-9-7-6-8-10-15)16(24)19(28-21)23-12-14(3)18(25)22-20(23)26/h7-11,13,16,18,20H,5-6,12,14H2,1-4H3,(H,23,25,26);6-10,12,16-17,19,24H,4-5,11,13H2,1-3H3,(H,22,25,26)/t16-,18?,20-,22+;16-,17?,19-,21+/m11/s1
InChIKeyRBOYJCJDFPAFSH-OVTUEPADSA-N
MW774.96 g/mol
LogP5.81
Rot. Bonds14

About 1-[(2R,3R,5S)-5-ethyl-3-hydroxy-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,5S)-5-ethyl-3-methyl-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,3R,5S)-5-ethyl-3-hydroxy-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,5S)-5-ethyl-3-methyl-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 160579516) has the molecular formula C43H58N4O9 and a molecular weight of 774.96 g/mol. Its IUPAC name is 1-[(2R,3R,5S)-5-ethyl-3-hydroxy-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,5S)-5-ethyl-3-methyl-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,5S)-5-ethyl-3-hydroxy-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,5S)-5-ethyl-3-methyl-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID160579516
Molecular FormulaC43H58N4O9
Molecular Weight774.96 g/mol
Exact Mass774.42
IUPAC Name1-[(2R,3R,5S)-5-ethyl-3-hydroxy-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,5S)-5-ethyl-3-methyl-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCCC[C@]1(CC)O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](C)C1OCc1ccccc1.CCC[C@]1(CC)O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](O)C1OCc1ccccc1
InChIInChI=1S/C22H30N2O4.C21H28N2O5/c1-5-12-22(6-2)18(27-14-17-10-8-7-9-11-17)16(4)20(28-22)24-13-15(3)19(25)23-21(24)26;1-4-11-21(5-2)17(27-13-15-9-7-6-8-10-15)16(24)19(28-21)23-12-14(3)18(25)22-20(23)26/h7-11,13,16,18,20H,5-6,12,14H2,1-4H3,(H,23,25,26);6-10,12,16-17,19,24H,4-5,11,13H2,1-3H3,(H,22,25,26)/t16-,18?,20-,22+;16-,17?,19-,21+/m11/s1
InChIKeyRBOYJCJDFPAFSH-OVTUEPADSA-N
XLogP5.81
TPSA166.87 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500774.96
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 1-[(2R,3R,5S)-5-ethyl-3-hydroxy-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,5S)-5-ethyl-3-methyl-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(5R)-3-amino-5-(hydroxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 129256635
(2R,5R)-4-hydroxy-N-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane-2-carboxamide
CID 163858367
5-fluoro-1-[(2R,3R,4S,5R)-5-(fluoromethyl)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 169068630
2-[(2R,3R,4S,5R)-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl]oxyisoindole-1,3-dione
CID 56930951
[(2R,3S)-5,5-diethyl-2-(5-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)-4-phenylmethoxyoxolan-3-yl] acetate
CID 88542484
5-methyl-1-[(1S,3S,4R,7S)-7-phenylmethoxy-1-(phenylmethoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione
CID 15374268
[(2S,3R,4S)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-5,5-bis(methylsulfonyloxymethyl)-4-phenylmethoxyoxolan-3-yl] acetate
CID 175155742
[(2R,3S,4S)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-5,5-bis(methylsulfonyloxymethyl)-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate
CID 10974383
S-[(2R,3R,4R)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-5,5-bis(methylsulfonyloxymethyl)-4-phenylmethoxyoxolan-3-yl] ethanethioate
CID 10940958
5-methyl-1-[(1R,3R,4R,7S)-7-phenylmethoxy-1-(phenylmethoxymethyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione
CID 135235523
1-[(2R,3S,5S,6R)-4-hydroxy-3-methoxy-9-methyl-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-2-yl]-5-methylpyrimidine-2,4-dione
CID 176641448
benzyl (1S,3R,4R,5S)-4-hydroxy-1-(hydroxymethyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-oxa-6-azabicyclo[3.2.0]heptane-6-carboxylate
CID 101015127

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,5S)-5-ethyl-3-hydroxy-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,5S)-5-ethyl-3-methyl-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,5S)-5-ethyl-3-hydroxy-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,5S)-5-ethyl-3-methyl-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 160579516) is 1-[(2R,3R,5S)-5-ethyl-3-hydroxy-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,5S)-5-ethyl-3-methyl-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,5S)-5-ethyl-3-hydroxy-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,5S)-5-ethyl-3-methyl-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,5S)-5-ethyl-3-hydroxy-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,5S)-5-ethyl-3-methyl-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is CCC[C@]1(CC)O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](C)C1OCc1ccccc1.CCC[C@]1(CC)O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](O)C1OCc1ccccc1.
What is the InChIKey of 1-[(2R,3R,5S)-5-ethyl-3-hydroxy-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,5S)-5-ethyl-3-methyl-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is RBOYJCJDFPAFSH-OVTUEPADSA-N. The full InChI is InChI=1S/C22H30N2O4.C21H28N2O5/c1-5-12-22(6-2)18(27-14-17-10-8-7-9-11-17)16(4)20(28-22)24-13-15(3)19(25)23-21(24)26;1-4-11-21(5-2)17(27-13-15-9-7-6-8-10-15)16(24)19(28-21)23-12-14(3)18(25)22-20(23)26/h7-11,13,16,18,20H,5-6,12,14H2,1-4H3,(H,23,25,26);6-10,12,16-17,19,24H,4-5,11,13H2,1-3H3,(H,22,25,26)/t16-,18?,20-,22+;16-,17?,19-,21+/m11/s1.
What are the key properties of 1-[(2R,3R,5S)-5-ethyl-3-hydroxy-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,5S)-5-ethyl-3-methyl-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,3R,5S)-5-ethyl-3-hydroxy-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,5S)-5-ethyl-3-methyl-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 774.96 g/mol, XLogP of 5.81, 14 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,5S)-5-ethyl-3-hydroxy-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,3R,5S)-5-ethyl-3-methyl-4-phenylmethoxy-5-propyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 160579516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).