(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylpentanamide

C30H49NO4Si2 — CID 50915354

IUPAC(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylpentanamide
SMILESCC(O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N(C)C
InChIInChI=1S/C30H49NO4Si2/c1-23(32)27(35-36(10,11)29(2,3)4)26(28(33)31(8)9)22-34-37(30(5,6)7,24-18-14-12-15-19-24)25-20-16-13-17-21-25/h12-21,23,26-27,32H,22H2,1-11H3/t23?,26-,27+/m0/s1
InChIKeyUUUXXGUAIIOCIP-AUHZSHLXSA-N
MW543.90 g/mol
LogP5.04
Rot. Bonds10

About (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylpentanamide

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylpentanamide (PubChem CID 50915354) has the molecular formula C30H49NO4Si2 and a molecular weight of 543.90 g/mol. Its IUPAC name is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylpentanamide.

Molecular Properties

Compound Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylpentanamide
PubChem CID50915354
Molecular FormulaC30H49NO4Si2
Molecular Weight543.90 g/mol
Exact Mass543.32
IUPAC Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylpentanamide
SMILESCC(O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N(C)C
InChIInChI=1S/C30H49NO4Si2/c1-23(32)27(35-36(10,11)29(2,3)4)26(28(33)31(8)9)22-34-37(30(5,6)7,24-18-14-12-15-19-24)25-20-16-13-17-21-25/h12-21,23,26-27,32H,22H2,1-11H3/t23?,26-,27+/m0/s1
InChIKeyUUUXXGUAIIOCIP-AUHZSHLXSA-N
XLogP5.04
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.90
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylpentanamide?
The IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylpentanamide (CID 50915354) is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylpentanamide.
What is the SMILES notation for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylpentanamide?
The canonical SMILES for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylpentanamide is CC(O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N(C)C.
What is the InChIKey of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylpentanamide?
The InChIKey is UUUXXGUAIIOCIP-AUHZSHLXSA-N. The full InChI is InChI=1S/C30H49NO4Si2/c1-23(32)27(35-36(10,11)29(2,3)4)26(28(33)31(8)9)22-34-37(30(5,6)7,24-18-14-12-15-19-24)25-20-16-13-17-21-25/h12-21,23,26-27,32H,22H2,1-11H3/t23?,26-,27+/m0/s1.
What are the key properties of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylpentanamide?
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylpentanamide has a molecular weight of 543.90 g/mol, XLogP of 5.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylpentanamide is sourced from PubChem (CID 50915354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).