1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione

About 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione

1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione (PubChem CID 15403929) has the molecular formula C27H42N2O5Si2 and a molecular weight of 530.81 g/mol. Its IUPAC name is 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name	1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione
PubChem CID	15403929
Molecular Formula	C27H42N2O5Si2
Molecular Weight	530.81 g/mol
Exact Mass	530.26
IUPAC Name	1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione
SMILES	CC(C)(C)[Si](C)(C)OC[C@H]1OC(n2ccc(=O)[nH]c2=O)=C(c2ccccc2)[C@@H]1O[Si](C)(C)C(C)(C)C
InChI	InChI=1S/C27H42N2O5Si2/c1-26(2,3)35(7,8)32-18-20-23(34-36(9,10)27(4,5)6)22(19-14-12-11-13-15-19)24(33-20)29-17-16-21(30)28-25(29)31/h11-17,20,23H,18H2,1-10H3,(H,28,30,31)/t20-,23-/m1/s1
InChIKey	YYRKLTLNIKTYEQ-NFBKMPQASA-N
XLogP	5.67
TPSA	82.55 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.81
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione?

The IUPAC name of 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione (CID 15403929) is 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione is CC(C)(C)[Si](C)(C)OC[C@H]1OC(n2ccc(=O)[nH]c2=O)=C(c2ccccc2)[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione?

The InChIKey is YYRKLTLNIKTYEQ-NFBKMPQASA-N. The full InChI is InChI=1S/C27H42N2O5Si2/c1-26(2,3)35(7,8)32-18-20-23(34-36(9,10)27(4,5)6)22(19-14-12-11-13-15-19)24(33-20)29-17-16-21(30)28-25(29)31/h11-17,20,23H,18H2,1-10H3,(H,28,30,31)/t20-,23-/m1/s1.

What are the key properties of 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione?

1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione has a molecular weight of 530.81 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-2,3-dihydrofuran-5-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 15403929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).