[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-benzoylcarbamate

C33H35N3O7Si — CID 134930197

IUPAC[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-benzoylcarbamate
SMILESCC(C)(C)[Si](OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1OC(=O)NC(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H35N3O7Si/c1-33(2,3)44(24-15-9-5-10-16-24,25-17-11-6-12-18-25)41-22-27-26(21-29(42-27)36-20-19-28(37)34-31(36)39)43-32(40)35-30(38)23-13-7-4-8-14-23/h4-20,26-27,29H,21-22H2,1-3H3,(H,34,37,39)(H,35,38,40)/t26-,27+,29+/m0/s1
InChIKeyOEJLPMDCZIZSIL-YIKNKFAXSA-N
MW613.74 g/mol
LogP3.34
Rot. Bonds8

About [(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-benzoylcarbamate

[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-benzoylcarbamate (PubChem CID 134930197) has the molecular formula C33H35N3O7Si and a molecular weight of 613.74 g/mol. Its IUPAC name is [(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-benzoylcarbamate.

Molecular Properties

Compound Name[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-benzoylcarbamate
PubChem CID134930197
Molecular FormulaC33H35N3O7Si
Molecular Weight613.74 g/mol
Exact Mass613.22
IUPAC Name[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-benzoylcarbamate
SMILESCC(C)(C)[Si](OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1OC(=O)NC(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H35N3O7Si/c1-33(2,3)44(24-15-9-5-10-16-24,25-17-11-6-12-18-25)41-22-27-26(21-29(42-27)36-20-19-28(37)34-31(36)39)43-32(40)35-30(38)23-13-7-4-8-14-23/h4-20,26-27,29H,21-22H2,1-3H3,(H,34,37,39)(H,35,38,40)/t26-,27+,29+/m0/s1
InChIKeyOEJLPMDCZIZSIL-YIKNKFAXSA-N
XLogP3.34
TPSA128.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500613.74
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-benzoylcarbamate?
The IUPAC name of [(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-benzoylcarbamate (CID 134930197) is [(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-benzoylcarbamate.
What is the SMILES notation for [(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-benzoylcarbamate?
The canonical SMILES for [(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-benzoylcarbamate is CC(C)(C)[Si](OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1OC(=O)NC(=O)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-benzoylcarbamate?
The InChIKey is OEJLPMDCZIZSIL-YIKNKFAXSA-N. The full InChI is InChI=1S/C33H35N3O7Si/c1-33(2,3)44(24-15-9-5-10-16-24,25-17-11-6-12-18-25)41-22-27-26(21-29(42-27)36-20-19-28(37)34-31(36)39)43-32(40)35-30(38)23-13-7-4-8-14-23/h4-20,26-27,29H,21-22H2,1-3H3,(H,34,37,39)(H,35,38,40)/t26-,27+,29+/m0/s1.
What are the key properties of [(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-benzoylcarbamate?
[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-benzoylcarbamate has a molecular weight of 613.74 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-benzoylcarbamate is sourced from PubChem (CID 134930197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).