6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-methylpyridine-2-carboxamide

C30H58N2O5Si3 — CID 44633535

IUPAC6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C30H58N2O5Si3/c1-28(2,3)38(11,12)34-20-23-25(36-39(13,14)29(4,5)6)26(37-40(15,16)30(7,8)9)24(35-23)21-18-17-19-22(32-21)27(33)31-10/h17-19,23-26H,20H2,1-16H3,(H,31,33)/t23-,24+,25-,26+/m1/s1
InChIKeyZKOPGPDHFLPHSA-ZJSPYRCASA-N
MW611.06 g/mol
LogP7.68
Rot. Bonds9

About 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-methylpyridine-2-carboxamide

6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-methylpyridine-2-carboxamide (PubChem CID 44633535) has the molecular formula C30H58N2O5Si3 and a molecular weight of 611.06 g/mol. Its IUPAC name is 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-methylpyridine-2-carboxamide
PubChem CID44633535
Molecular FormulaC30H58N2O5Si3
Molecular Weight611.06 g/mol
Exact Mass610.37
IUPAC Name6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C30H58N2O5Si3/c1-28(2,3)38(11,12)34-20-23-25(36-39(13,14)29(4,5)6)26(37-40(15,16)30(7,8)9)24(35-23)21-18-17-19-22(32-21)27(33)31-10/h17-19,23-26H,20H2,1-16H3,(H,31,33)/t23-,24+,25-,26+/m1/s1
InChIKeyZKOPGPDHFLPHSA-ZJSPYRCASA-N
XLogP7.68
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.06
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-methylpyridine-2-carboxamide (CID 44633535) is 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cccc([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)n1.
What is the InChIKey of 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is ZKOPGPDHFLPHSA-ZJSPYRCASA-N. The full InChI is InChI=1S/C30H58N2O5Si3/c1-28(2,3)38(11,12)34-20-23-25(36-39(13,14)29(4,5)6)26(37-40(15,16)30(7,8)9)24(35-23)21-18-17-19-22(32-21)27(33)31-10/h17-19,23-26H,20H2,1-16H3,(H,31,33)/t23-,24+,25-,26+/m1/s1.
What are the key properties of 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-methylpyridine-2-carboxamide?
6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 611.06 g/mol, XLogP of 7.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 44633535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).