5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione;deuterio(fluoro)methane;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione;methane

C61H99FN8O20Si2 — CID 158644529

About 5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione;deuterio(fluoro)methane;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione;methane

5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione;deuterio(fluoro)methane;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione;methane (PubChem CID 158644529) has the molecular formula C61H99FN8O20Si2 and a molecular weight of 1340.68 g/mol. Its IUPAC name is 5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione;deuterio(fluoro)methane;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione;methane.

Molecular Properties

• Compound Name: 5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione;deuterio(fluoro)methane;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione;methane
• PubChem CID: 158644529
• Molecular Formula: C61H99FN8O20Si2
• Molecular Weight: 1340.68 g/mol
• Exact Mass: 1339.66
• IUPAC Name: 5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione;deuterio(fluoro)methane;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione;methane
• SMILES: C.C.C#CCn1cc([C@@H]2O[C@H](CC)C(C)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O.C#CCn1cc([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)[nH]c1=O.CC[C@H]1O[C@@H](c2c[nH]c(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1C.O=c1[nH]cc([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)[nH]1.[2H]CF
• InChI: InChI=1S/C20H32N2O4Si.C17H30N2O4Si.C12H14N2O6.C9H12N2O6.CH3F.2CH4/c1-9-11-22-12-14(18(23)21-19(22)24)17-16(13(3)15(10-2)25-17)26-27(7,8)20(4,5)6;1-8-12-10(2)13(23-24(6,7)17(3,4)5)14(22-12)11-9-18-16(21)19-15(11)20;1-2-3-14-4-6(11(18)13-12(14)19)10-9(17)8(16)7(5-15)20-10;12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15;1-2;;/h1,12-13,15-17H,10-11H2,2-8H3,(H,21,23,24);9-10,12-14H,8H2,1-7H3,(H2,18,19,20,21);1,4,7-10,15-17H,3,5H2,(H,13,18,19);1,4-7,12-14H,2H2,(H2,10,11,15,16);1H3;2*1H4/t13?,15-,16+,17+;10?,12-,13+,14+;7-,8?,9+,10+;4-,5?,6+,7+;;;/m1111.../s1/i;;;;1D
• InChIKey: IAULVXFYQFXNFY-RNVNLLGRSA-N
• XLogP: 2.38
• TPSA: 417.92 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1340.68
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione;deuterio(fluoro)methane;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione;methane?

The IUPAC name of 5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione;deuterio(fluoro)methane;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione;methane (CID 158644529) is 5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione;deuterio(fluoro)methane;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione;methane.

What is the SMILES notation for 5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione;deuterio(fluoro)methane;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione;methane?

The canonical SMILES for 5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione;deuterio(fluoro)methane;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione;methane is C.C.C#CCn1cc([C@@H]2O[C@H](CC)C(C)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O.C#CCn1cc([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)[nH]c1=O.CC[C@H]1O[C@@H](c2c[nH]c(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1C.O=c1[nH]cc([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)[nH]1.[2H]CF.

What is the InChIKey of 5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione;deuterio(fluoro)methane;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione;methane?

The InChIKey is IAULVXFYQFXNFY-RNVNLLGRSA-N. The full InChI is InChI=1S/C20H32N2O4Si.C17H30N2O4Si.C12H14N2O6.C9H12N2O6.CH3F.2CH4/c1-9-11-22-12-14(18(23)21-19(22)24)17-16(13(3)15(10-2)25-17)26-27(7,8)20(4,5)6;1-8-12-10(2)13(23-24(6,7)17(3,4)5)14(22-12)11-9-18-16(21)19-15(11)20;1-2-3-14-4-6(11(18)13-12(14)19)10-9(17)8(16)7(5-15)20-10;12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15;1-2;;/h1,12-13,15-17H,10-11H2,2-8H3,(H,21,23,24);9-10,12-14H,8H2,1-7H3,(H2,18,19,20,21);1,4,7-10,15-17H,3,5H2,(H,13,18,19);1,4-7,12-14H,2H2,(H2,10,11,15,16);1H3;2*1H4/t13?,15-,16+,17+;10?,12-,13+,14+;7-,8?,9+,10+;4-,5?,6+,7+;;;/m1111.../s1/i;;;;1D;;.

What are the key properties of 5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione;deuterio(fluoro)methane;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione;methane?

5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione;deuterio(fluoro)methane;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione;methane has a molecular weight of 1340.68 g/mol, XLogP of 2.38, 14 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione;deuterio(fluoro)methane;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-prop-2-ynylpyrimidine-2,4-dione;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione;methane is sourced from PubChem (CID 158644529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).