1-[(2S,3R,4S,5R)-2-diphenylsilyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione

C30H39FN2O6Si — CID 173401877

IUPAC1-[(2S,3R,4S,5R)-2-diphenylsilyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione
SMILESCC(C)(C)OC[C@H]1O[C@](n2cc(CF)c(=O)[nH]c2=O)([SiH](c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1OC(C)(C)C
InChIInChI=1S/C30H39FN2O6Si/c1-28(2,3)37-19-23-24(39-29(4,5)6)25(34)30(38-23,33-18-20(17-31)26(35)32-27(33)36)40(21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,18,23-25,34,40H,17,19H2,1-6H3,(H,32,35,36)/t23-,24-,25-,30+/m1/s1
InChIKeyLARVKPDHJABWCH-GBRARVNLSA-N
MW570.73 g/mol
LogP2.00
Rot. Bonds8

About 1-[(2S,3R,4S,5R)-2-diphenylsilyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione

1-[(2S,3R,4S,5R)-2-diphenylsilyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione (PubChem CID 173401877) has the molecular formula C30H39FN2O6Si and a molecular weight of 570.73 g/mol. Its IUPAC name is 1-[(2S,3R,4S,5R)-2-diphenylsilyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2S,3R,4S,5R)-2-diphenylsilyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione
PubChem CID173401877
Molecular FormulaC30H39FN2O6Si
Molecular Weight570.73 g/mol
Exact Mass570.26
IUPAC Name1-[(2S,3R,4S,5R)-2-diphenylsilyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione
SMILESCC(C)(C)OC[C@H]1O[C@](n2cc(CF)c(=O)[nH]c2=O)([SiH](c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1OC(C)(C)C
InChIInChI=1S/C30H39FN2O6Si/c1-28(2,3)37-19-23-24(39-29(4,5)6)25(34)30(38-23,33-18-20(17-31)26(35)32-27(33)36)40(21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,18,23-25,34,40H,17,19H2,1-6H3,(H,32,35,36)/t23-,24-,25-,30+/m1/s1
InChIKeyLARVKPDHJABWCH-GBRARVNLSA-N
XLogP2.00
TPSA102.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.73
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[(2S,3R,4S,5R)-2-diphenylsilyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R,4S,5R)-2-diphenylsilyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-[(2S,3R,4S,5R)-2-diphenylsilyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione (CID 173401877) is 1-[(2S,3R,4S,5R)-2-diphenylsilyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2S,3R,4S,5R)-2-diphenylsilyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2S,3R,4S,5R)-2-diphenylsilyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione is CC(C)(C)OC[C@H]1O[C@](n2cc(CF)c(=O)[nH]c2=O)([SiH](c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1OC(C)(C)C.
What is the InChIKey of 1-[(2S,3R,4S,5R)-2-diphenylsilyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione?
The InChIKey is LARVKPDHJABWCH-GBRARVNLSA-N. The full InChI is InChI=1S/C30H39FN2O6Si/c1-28(2,3)37-19-23-24(39-29(4,5)6)25(34)30(38-23,33-18-20(17-31)26(35)32-27(33)36)40(21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,18,23-25,34,40H,17,19H2,1-6H3,(H,32,35,36)/t23-,24-,25-,30+/m1/s1.
What are the key properties of 1-[(2S,3R,4S,5R)-2-diphenylsilyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione?
1-[(2S,3R,4S,5R)-2-diphenylsilyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione has a molecular weight of 570.73 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R,4S,5R)-2-diphenylsilyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-(fluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 173401877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).