[(2R,3R,4R,5R)-2-[[benzhydryloxy-bis(trimethylsilyloxy)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] acetate

C31H44N2O10Si3 — CID 69011397

IUPAC[(2R,3R,4R,5R)-2-[[benzhydryloxy-bis(trimethylsilyloxy)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] acetate
SMILESCO[C@@H]1[C@H](OC(C)=O)[C@@H](CO[Si](OC(c2ccccc2)c2ccccc2)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C31H44N2O10Si3/c1-22(34)39-28-25(40-30(29(28)37-2)33-20-19-26(35)32-31(33)36)21-38-46(42-44(3,4)5,43-45(6,7)8)41-27(23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-20,25,27-30H,21H2,1-8H3,(H,32,35,36)/t25-,28-,29-,30-/m1/s1
InChIKeyFSCNEOASWODQNP-LOIHPRHOSA-N
MW688.96 g/mol
LogP4.34
Rot. Bonds14

About [(2R,3R,4R,5R)-2-[[benzhydryloxy-bis(trimethylsilyloxy)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] acetate

[(2R,3R,4R,5R)-2-[[benzhydryloxy-bis(trimethylsilyloxy)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] acetate (PubChem CID 69011397) has the molecular formula C31H44N2O10Si3 and a molecular weight of 688.96 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-2-[[benzhydryloxy-bis(trimethylsilyloxy)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-2-[[benzhydryloxy-bis(trimethylsilyloxy)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] acetate
PubChem CID69011397
Molecular FormulaC31H44N2O10Si3
Molecular Weight688.96 g/mol
Exact Mass688.23
IUPAC Name[(2R,3R,4R,5R)-2-[[benzhydryloxy-bis(trimethylsilyloxy)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] acetate
SMILESCO[C@@H]1[C@H](OC(C)=O)[C@@H](CO[Si](OC(c2ccccc2)c2ccccc2)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C31H44N2O10Si3/c1-22(34)39-28-25(40-30(29(28)37-2)33-20-19-26(35)32-31(33)36)21-38-46(42-44(3,4)5,43-45(6,7)8)41-27(23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-20,25,27-30H,21H2,1-8H3,(H,32,35,36)/t25-,28-,29-,30-/m1/s1
InChIKeyFSCNEOASWODQNP-LOIHPRHOSA-N
XLogP4.34
TPSA136.54 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.96
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,5R)-2-[[benzhydryloxy-bis(trimethylsilyloxy)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] acetate with MolForge

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Related Compounds

[(2R,3S,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 12896719
[(2R,3R,4R,5R)-4-acetyloxy-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 10601260
bis[[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] butanedioate
CID 169087902
[(2R,4S,5R)-3-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-sulfanyloxolan-2-yl]methyl acetate
CID 58978842
[(2S,5S)-4-bromooxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 57225900
[(2S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 6429500
[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(2,4-dioxo(213C,1,3-15N2)pyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 171042582
[(2R,3R,4R,5R)-2-[(1,1-dimethoxy-2,2,2-triphenylethoxy)methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-(2-methoxyethoxy)oxolan-3-yl] acetate
CID 54226087
[(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl benzoate
CID 67175751
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] 4-oxopentanoate
CID 90208367
[(2R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylsulfamoyloxymethyl)oxolan-3-yl] acetate
CID 5274318
1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 173465347

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-2-[[benzhydryloxy-bis(trimethylsilyloxy)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] acetate?
The IUPAC name of [(2R,3R,4R,5R)-2-[[benzhydryloxy-bis(trimethylsilyloxy)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] acetate (CID 69011397) is [(2R,3R,4R,5R)-2-[[benzhydryloxy-bis(trimethylsilyloxy)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4R,5R)-2-[[benzhydryloxy-bis(trimethylsilyloxy)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4R,5R)-2-[[benzhydryloxy-bis(trimethylsilyloxy)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] acetate is CO[C@@H]1[C@H](OC(C)=O)[C@@H](CO[Si](OC(c2ccccc2)c2ccccc2)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1n1ccc(=O)[nH]c1=O.
What is the InChIKey of [(2R,3R,4R,5R)-2-[[benzhydryloxy-bis(trimethylsilyloxy)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] acetate?
The InChIKey is FSCNEOASWODQNP-LOIHPRHOSA-N. The full InChI is InChI=1S/C31H44N2O10Si3/c1-22(34)39-28-25(40-30(29(28)37-2)33-20-19-26(35)32-31(33)36)21-38-46(42-44(3,4)5,43-45(6,7)8)41-27(23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-20,25,27-30H,21H2,1-8H3,(H,32,35,36)/t25-,28-,29-,30-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-2-[[benzhydryloxy-bis(trimethylsilyloxy)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] acetate?
[(2R,3R,4R,5R)-2-[[benzhydryloxy-bis(trimethylsilyloxy)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] acetate has a molecular weight of 688.96 g/mol, XLogP of 4.34, 14 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-2-[[benzhydryloxy-bis(trimethylsilyloxy)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] acetate is sourced from PubChem (CID 69011397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).