3-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one

C22H44N2O5Si2 — CID 174115589

IUPAC3-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one
SMILESC[C@H]1C(O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(O)NC1=O
InChIInChI=1S/C22H44N2O5Si2/c1-15-18(29-31(10,11)22(5,6)7)16(14-27-30(8,9)21(2,3)4)28-19(15)24-13-12-17(25)23-20(24)26/h12-13,15-19,25H,14H2,1-11H3,(H,23,26)/t15-,16+,17?,18?,19+/m0/s1
InChIKeyZZVASZBFKMDZNJ-ZWCSJYCISA-N
MW472.78 g/mol
LogP4.62
Rot. Bonds6

About 3-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one

3-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one (PubChem CID 174115589) has the molecular formula C22H44N2O5Si2 and a molecular weight of 472.78 g/mol. Its IUPAC name is 3-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name3-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one
PubChem CID174115589
Molecular FormulaC22H44N2O5Si2
Molecular Weight472.78 g/mol
Exact Mass472.28
IUPAC Name3-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one
SMILESC[C@H]1C(O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(O)NC1=O
InChIInChI=1S/C22H44N2O5Si2/c1-15-18(29-31(10,11)22(5,6)7)16(14-27-30(8,9)21(2,3)4)28-19(15)24-13-12-17(25)23-20(24)26/h12-13,15-19,25H,14H2,1-11H3,(H,23,26)/t15-,16+,17?,18?,19+/m0/s1
InChIKeyZZVASZBFKMDZNJ-ZWCSJYCISA-N
XLogP4.62
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.78
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one?
The IUPAC name of 3-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one (CID 174115589) is 3-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 3-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 3-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one is C[C@H]1C(O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(O)NC1=O.
What is the InChIKey of 3-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one?
The InChIKey is ZZVASZBFKMDZNJ-ZWCSJYCISA-N. The full InChI is InChI=1S/C22H44N2O5Si2/c1-15-18(29-31(10,11)22(5,6)7)16(14-27-30(8,9)21(2,3)4)28-19(15)24-13-12-17(25)23-20(24)26/h12-13,15-19,25H,14H2,1-11H3,(H,23,26)/t15-,16+,17?,18?,19+/m0/s1.
What are the key properties of 3-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one?
3-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one has a molecular weight of 472.78 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 174115589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).