methyl (2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate

C17H28N2O6Si — CID 164745352

IUPACmethyl (2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate
SMILESCOC(=O)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28N2O6Si/c1-10-9-19(16(22)18-14(10)20)12-8-11(13(24-12)15(21)23-5)25-26(6,7)17(2,3)4/h9,11-13H,8H2,1-7H3,(H,18,20,22)/t11?,12-,13+/m1/s1
InChIKeyRZECMSWVPNMMAV-HDYSRYHKSA-N
MW384.51 g/mol
LogP1.70
Rot. Bonds4

About methyl (2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate

methyl (2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate (PubChem CID 164745352) has the molecular formula C17H28N2O6Si and a molecular weight of 384.51 g/mol. Its IUPAC name is methyl (2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate
PubChem CID164745352
Molecular FormulaC17H28N2O6Si
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC Namemethyl (2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate
SMILESCOC(=O)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28N2O6Si/c1-10-9-19(16(22)18-14(10)20)12-8-11(13(24-12)15(21)23-5)25-26(6,7)17(2,3)4/h9,11-13H,8H2,1-7H3,(H,18,20,22)/t11?,12-,13+/m1/s1
InChIKeyRZECMSWVPNMMAV-HDYSRYHKSA-N
XLogP1.70
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide
CID 158180539
3-[(2R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoic acid
CID 57251904
[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(trimethylsilyl) phosphite
CID 11757634
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-pent-1-enyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 177407271
1-[(2R,4S,5R)-5-[bis[di(propan-2-yl)amino]phosphanyloxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101468293
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxy-2-nitroethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11133477
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(phenylmethoxyamino)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15476584
1-[(2R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 140704946
1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 557070
methyl (2S,3S,5R)-3-acetyloxy-2-deuterio-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate
CID 23256888
1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-trimethylsilyl-1,3-dithian-2-yl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 134971257
methyl (2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate
CID 11369613

Frequently Asked Questions

What is the IUPAC name of methyl (2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate?
The IUPAC name of methyl (2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate (CID 164745352) is methyl (2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate.
What is the SMILES notation for methyl (2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate?
The canonical SMILES for methyl (2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate is COC(=O)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate?
The InChIKey is RZECMSWVPNMMAV-HDYSRYHKSA-N. The full InChI is InChI=1S/C17H28N2O6Si/c1-10-9-19(16(22)18-14(10)20)12-8-11(13(24-12)15(21)23-5)25-26(6,7)17(2,3)4/h9,11-13H,8H2,1-7H3,(H,18,20,22)/t11?,12-,13+/m1/s1.
What are the key properties of methyl (2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate?
methyl (2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate has a molecular weight of 384.51 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate is sourced from PubChem (CID 164745352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).