[(2S,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methyl-hydroxy-oxophosphanium

C28H36N2O7PSi+ — CID 146032686

IUPAC[(2S,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methyl-hydroxy-oxophosphanium
SMILESCO[C@@H]1[C@H](C[P+](=O)O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C28H35N2O7PSi/c1-19-16-30(27(32)29-25(19)31)26-24(35-5)22(18-38(33)34)23(37-26)17-36-39(28(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,22-24,26H,17-18H2,1-5H3,(H-,29,31,32,33,34)/p+1/t22-,23-,24-,26-/m1/s1
InChIKeyQNQUPVCUHVWZBP-PMHJDTQVSA-O
MW571.66 g/mol
LogP2.68
Rot. Bonds9

About [(2S,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methyl-hydroxy-oxophosphanium

[(2S,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methyl-hydroxy-oxophosphanium (PubChem CID 146032686) has the molecular formula C28H36N2O7PSi+ and a molecular weight of 571.66 g/mol. Its IUPAC name is [(2S,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(2S,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methyl-hydroxy-oxophosphanium
PubChem CID146032686
Molecular FormulaC28H36N2O7PSi+
Molecular Weight571.66 g/mol
Exact Mass571.20
IUPAC Name[(2S,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methyl-hydroxy-oxophosphanium
SMILESCO[C@@H]1[C@H](C[P+](=O)O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C28H35N2O7PSi/c1-19-16-30(27(32)29-25(19)31)26-24(35-5)22(18-38(33)34)23(37-26)17-36-39(28(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,22-24,26H,17-18H2,1-5H3,(H-,29,31,32,33,34)/p+1/t22-,23-,24-,26-/m1/s1
InChIKeyQNQUPVCUHVWZBP-PMHJDTQVSA-O
XLogP2.68
TPSA119.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.66
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2S,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methyl-hydroxy-oxophosphanium with MolForge

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Related Compounds

1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-3-(2-methoxy-2-methylpropoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 70853203
1-[(2R,3R,4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-5-[(methylideneamino)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10530443
[(2R,3R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-phenylmethoxyoxolan-3-yl] benzoate
CID 122225769
1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-hydroxypropoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 169083489
3-[(2R,3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide
CID 175585422
1-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]-5-methylpyrimidine-2,4-dione
CID 10368003
1-[(2R,3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[(E)-2-phenylethenyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10817125
1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodo-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 11114591
1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 10695945
ethyl 2-[(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-2-hydroxyacetate
CID 71599981
benzyl 7-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-oxa-6-azabicyclo[3.2.0]heptane-6-carboxylate
CID 10189639
1-[(2R,5S)-4,5-bis(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 163539028

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methyl-hydroxy-oxophosphanium?
The IUPAC name of [(2S,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methyl-hydroxy-oxophosphanium (CID 146032686) is [(2S,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methyl-hydroxy-oxophosphanium.
What is the SMILES notation for [(2S,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methyl-hydroxy-oxophosphanium?
The canonical SMILES for [(2S,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methyl-hydroxy-oxophosphanium is CO[C@@H]1[C@H](C[P+](=O)O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of [(2S,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methyl-hydroxy-oxophosphanium?
The InChIKey is QNQUPVCUHVWZBP-PMHJDTQVSA-O. The full InChI is InChI=1S/C28H35N2O7PSi/c1-19-16-30(27(32)29-25(19)31)26-24(35-5)22(18-38(33)34)23(37-26)17-36-39(28(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,22-24,26H,17-18H2,1-5H3,(H-,29,31,32,33,34)/p+1/t22-,23-,24-,26-/m1/s1.
What are the key properties of [(2S,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methyl-hydroxy-oxophosphanium?
[(2S,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methyl-hydroxy-oxophosphanium has a molecular weight of 571.66 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methyl-hydroxy-oxophosphanium is sourced from PubChem (CID 146032686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).