ethyl N-[1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4-trihydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate

C19H33N3O8Si — CID 66831590

IUPACethyl N-[1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4-trihydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
SMILESCCOC(=O)Nc1ccn([C@]2(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@]2(C)O)c(=O)n1
InChIInChI=1S/C19H33N3O8Si/c1-8-28-16(25)21-13-9-10-22(15(24)20-13)19(27)18(5,26)14(23)12(30-19)11-29-31(6,7)17(2,3)4/h9-10,12,14,23,26-27H,8,11H2,1-7H3,(H,20,21,24,25)/t12-,14-,18-,19-/m1/s1
InChIKeyFJAOKSUAQYNAOX-NCGUTPBLSA-N
MW459.57 g/mol
LogP0.95
Rot. Bonds6

About ethyl N-[1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4-trihydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate

ethyl N-[1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4-trihydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate (PubChem CID 66831590) has the molecular formula C19H33N3O8Si and a molecular weight of 459.57 g/mol. Its IUPAC name is ethyl N-[1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4-trihydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4-trihydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
PubChem CID66831590
Molecular FormulaC19H33N3O8Si
Molecular Weight459.57 g/mol
Exact Mass459.20
IUPAC Nameethyl N-[1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4-trihydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
SMILESCCOC(=O)Nc1ccn([C@]2(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@]2(C)O)c(=O)n1
InChIInChI=1S/C19H33N3O8Si/c1-8-28-16(25)21-13-9-10-22(15(24)20-13)19(27)18(5,26)14(23)12(30-19)11-29-31(6,7)17(2,3)4/h9-10,12,14,23,26-27H,8,11H2,1-7H3,(H,20,21,24,25)/t12-,14-,18-,19-/m1/s1
InChIKeyFJAOKSUAQYNAOX-NCGUTPBLSA-N
XLogP0.95
TPSA152.37 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze ethyl N-[1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4-trihydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4-trihydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4-trihydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate (CID 66831590) is ethyl N-[1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4-trihydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4-trihydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4-trihydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate is CCOC(=O)Nc1ccn([C@]2(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@]2(C)O)c(=O)n1.
What is the InChIKey of ethyl N-[1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4-trihydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate?
The InChIKey is FJAOKSUAQYNAOX-NCGUTPBLSA-N. The full InChI is InChI=1S/C19H33N3O8Si/c1-8-28-16(25)21-13-9-10-22(15(24)20-13)19(27)18(5,26)14(23)12(30-19)11-29-31(6,7)17(2,3)4/h9-10,12,14,23,26-27H,8,11H2,1-7H3,(H,20,21,24,25)/t12-,14-,18-,19-/m1/s1.
What are the key properties of ethyl N-[1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4-trihydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate?
ethyl N-[1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4-trihydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate has a molecular weight of 459.57 g/mol, XLogP of 0.95, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4-trihydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate is sourced from PubChem (CID 66831590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).