tert-butyl N-benzyl-N-[(2R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-formyl-2-methoxyoxan-4-yl]carbamate

C25H41NO6Si — CID 11049102

IUPACtert-butyl N-benzyl-N-[(2R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-formyl-2-methoxyoxan-4-yl]carbamate
SMILESCO[C@]1(C=O)C[C@@H](N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C25H41NO6Si/c1-23(2,3)31-22(28)26(16-19-13-11-10-12-14-19)20-15-25(18-27,29-7)30-17-21(20)32-33(8,9)24(4,5)6/h10-14,18,20-21H,15-17H2,1-9H3/t20-,21-,25-/m1/s1
InChIKeyARVGNOOVDWAFTE-DNRQZRRGSA-N
MW479.69 g/mol
LogP5.14
Rot. Bonds7

About tert-butyl N-benzyl-N-[(2R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-formyl-2-methoxyoxan-4-yl]carbamate

tert-butyl N-benzyl-N-[(2R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-formyl-2-methoxyoxan-4-yl]carbamate (PubChem CID 11049102) has the molecular formula C25H41NO6Si and a molecular weight of 479.69 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[(2R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-formyl-2-methoxyoxan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[(2R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-formyl-2-methoxyoxan-4-yl]carbamate
PubChem CID11049102
Molecular FormulaC25H41NO6Si
Molecular Weight479.69 g/mol
Exact Mass479.27
IUPAC Nametert-butyl N-benzyl-N-[(2R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-formyl-2-methoxyoxan-4-yl]carbamate
SMILESCO[C@]1(C=O)C[C@@H](N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C25H41NO6Si/c1-23(2,3)31-22(28)26(16-19-13-11-10-12-14-19)20-15-25(18-27,29-7)30-17-21(20)32-33(8,9)24(4,5)6/h10-14,18,20-21H,15-17H2,1-9H3/t20-,21-,25-/m1/s1
InChIKeyARVGNOOVDWAFTE-DNRQZRRGSA-N
XLogP5.14
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.69
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S)-4-[benzyl(methyl)amino]-2-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxybutanal
CID 11316911
(2S,5R)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione
CID 10644994
(2S,5S)-9-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dioxa-9-azaspiro[4.5]decane-7,10-dione
CID 11795589
methyl (2R,4R,5S)-4-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxyoxane-2-carboxylate
CID 11813212
tert-butyl (3R)-3-[benzyl(propan-2-yl)amino]-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 25213213
tert-butyl (3S)-3-[benzyl(propan-2-yl)amino]-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 25213214
tert-butyl (3R)-3-[benzyl(propan-2-yl)amino]-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 102365635

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[(2R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-formyl-2-methoxyoxan-4-yl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[(2R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-formyl-2-methoxyoxan-4-yl]carbamate (CID 11049102) is tert-butyl N-benzyl-N-[(2R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-formyl-2-methoxyoxan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[(2R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-formyl-2-methoxyoxan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[(2R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-formyl-2-methoxyoxan-4-yl]carbamate is CO[C@]1(C=O)C[C@@H](N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CO1.
What is the InChIKey of tert-butyl N-benzyl-N-[(2R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-formyl-2-methoxyoxan-4-yl]carbamate?
The InChIKey is ARVGNOOVDWAFTE-DNRQZRRGSA-N. The full InChI is InChI=1S/C25H41NO6Si/c1-23(2,3)31-22(28)26(16-19-13-11-10-12-14-19)20-15-25(18-27,29-7)30-17-21(20)32-33(8,9)24(4,5)6/h10-14,18,20-21H,15-17H2,1-9H3/t20-,21-,25-/m1/s1.
What are the key properties of tert-butyl N-benzyl-N-[(2R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-formyl-2-methoxyoxan-4-yl]carbamate?
tert-butyl N-benzyl-N-[(2R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-formyl-2-methoxyoxan-4-yl]carbamate has a molecular weight of 479.69 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[(2R,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-formyl-2-methoxyoxan-4-yl]carbamate is sourced from PubChem (CID 11049102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).