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

C18H31N3O6Si — CID 158180539

IUPAC(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide
SMILESCON(C)C(=O)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H31N3O6Si/c1-11-10-21(17(24)19-15(11)22)13-9-12(27-28(7,8)18(2,3)4)14(26-13)16(23)20(5)25-6/h10,12-14H,9H2,1-8H3,(H,19,22,24)/t12-,13-,14+/m1/s1
InChIKeyFPGJDKBJLGIXMP-MCIONIFRSA-N
MW413.55 g/mol
LogP1.54
Rot. Bonds5

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

(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide (PubChem CID 158180539) has the molecular formula C18H31N3O6Si and a molecular weight of 413.55 g/mol. Its IUPAC name is (2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide
PubChem CID158180539
Molecular FormulaC18H31N3O6Si
Molecular Weight413.55 g/mol
Exact Mass413.20
IUPAC Name(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide
SMILESCON(C)C(=O)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H31N3O6Si/c1-11-10-21(17(24)19-15(11)22)13-9-12(27-28(7,8)18(2,3)4)14(26-13)16(23)20(5)25-6/h10,12-14H,9H2,1-8H3,(H,19,22,24)/t12-,13-,14+/m1/s1
InChIKeyFPGJDKBJLGIXMP-MCIONIFRSA-N
XLogP1.54
TPSA102.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide with MolForge

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Related Compounds

methyl (2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate
CID 164745352
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)-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-[(Z)-pent-1-enyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 177407271
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)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11313759
1-[(2R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 140704946
[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-(hydroxymethyl)benzoate
CID 101358465
1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 557070
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[9H-fluoren-9-ylmethoxy(sulfanyl)phosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 134885483
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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide?
The IUPAC name of (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) is (2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide is CON(C)C(=O)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide?
The InChIKey is FPGJDKBJLGIXMP-MCIONIFRSA-N. The full InChI is InChI=1S/C18H31N3O6Si/c1-11-10-21(17(24)19-15(11)22)13-9-12(27-28(7,8)18(2,3)4)14(26-13)16(23)20(5)25-6/h10,12-14H,9H2,1-8H3,(H,19,22,24)/t12-,13-,14+/m1/s1.
What are the key properties of (2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide?
(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide has a molecular weight of 413.55 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxamide is sourced from PubChem (CID 158180539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).