3-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-imino-3H-pyridin-2-one

C22H42N2O4Si2 — CID 140534274

IUPAC3-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-imino-3H-pyridin-2-one
SMILES[H]/N=C1\C=CC([C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)C(=O)N1
InChIInChI=1S/C22H42N2O4Si2/c1-21(2,3)29(7,8)26-14-18-17(28-30(9,10)22(4,5)6)13-16(27-18)15-11-12-19(23)24-20(15)25/h11-12,15-18H,13-14H2,1-10H3,(H2,23,24,25)/t15?,16-,17-,18-/m1/s1
InChIKeyIPGVOCLTKQDBHL-QSLYMNIHSA-N
MW454.76 g/mol
LogP4.84
Rot. Bonds6

About 3-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-imino-3H-pyridin-2-one

3-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-imino-3H-pyridin-2-one (PubChem CID 140534274) has the molecular formula C22H42N2O4Si2 and a molecular weight of 454.76 g/mol. Its IUPAC name is 3-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-imino-3H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-imino-3H-pyridin-2-one
PubChem CID140534274
Molecular FormulaC22H42N2O4Si2
Molecular Weight454.76 g/mol
Exact Mass454.27
IUPAC Name3-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-imino-3H-pyridin-2-one
SMILES[H]/N=C1\C=CC([C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)C(=O)N1
InChIInChI=1S/C22H42N2O4Si2/c1-21(2,3)29(7,8)26-14-18-17(28-30(9,10)22(4,5)6)13-16(27-18)15-11-12-19(23)24-20(15)25/h11-12,15-18H,13-14H2,1-10H3,(H2,23,24,25)/t15?,16-,17-,18-/m1/s1
InChIKeyIPGVOCLTKQDBHL-QSLYMNIHSA-N
XLogP4.84
TPSA80.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.76
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 101264549
CID 101264549
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-deuteriopyrimidine-2,4-dione
CID 14311092
3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methyl-2,6-dioxopyrimidine-1-carbonitrile
CID 71574810
9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1-hydroxypurin-6-one
CID 102507017
6-amino-4-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]isoindole-1,3-dione
CID 71614437
9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,3-dihydro-1H-purin-6-one
CID 102378497
tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane
CID 139670541
4-amino-5-bromo-1-[(2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidin-2-one
CID 101170673
(5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 15633274
5-(azidomethyl)-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 134837835
1-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 57102324
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-thiophen-2-ylpyrimidin-2-one
CID 102276677

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-imino-3H-pyridin-2-one?
The IUPAC name of 3-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-imino-3H-pyridin-2-one (CID 140534274) is 3-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-imino-3H-pyridin-2-one.
What is the SMILES notation for 3-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-imino-3H-pyridin-2-one?
The canonical SMILES for 3-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-imino-3H-pyridin-2-one is [H]/N=C1\C=CC([C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)C(=O)N1.
What is the InChIKey of 3-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-imino-3H-pyridin-2-one?
The InChIKey is IPGVOCLTKQDBHL-QSLYMNIHSA-N. The full InChI is InChI=1S/C22H42N2O4Si2/c1-21(2,3)29(7,8)26-14-18-17(28-30(9,10)22(4,5)6)13-16(27-18)15-11-12-19(23)24-20(15)25/h11-12,15-18H,13-14H2,1-10H3,(H2,23,24,25)/t15?,16-,17-,18-/m1/s1.
What are the key properties of 3-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-imino-3H-pyridin-2-one?
3-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-imino-3H-pyridin-2-one has a molecular weight of 454.76 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-imino-3H-pyridin-2-one is sourced from PubChem (CID 140534274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).