tert-butyl N-[(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate

C28H41NO5Si — CID 102155717

IUPACtert-butyl N-[(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate
SMILESCC(=O)[C@@H](C)[C@H](O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C28H41NO5Si/c1-20(21(2)30)25(31)24(29-26(32)34-27(3,4)5)19-33-35(28(6,7)8,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,20,24-25,31H,19H2,1-8H3,(H,29,32)/t20-,24-,25+/m1/s1
InChIKeyQCXLUQSUXBSZBQ-ZPZUNKDASA-N
MW499.72 g/mol
LogP4.04
Rot. Bonds9

About tert-butyl N-[(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate

tert-butyl N-[(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate (PubChem CID 102155717) has the molecular formula C28H41NO5Si and a molecular weight of 499.72 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate
PubChem CID102155717
Molecular FormulaC28H41NO5Si
Molecular Weight499.72 g/mol
Exact Mass499.28
IUPAC Nametert-butyl N-[(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate
SMILESCC(=O)[C@@H](C)[C@H](O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C28H41NO5Si/c1-20(21(2)30)25(31)24(29-26(32)34-27(3,4)5)19-33-35(28(6,7)8,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,20,24-25,31H,19H2,1-8H3,(H,29,32)/t20-,24-,25+/m1/s1
InChIKeyQCXLUQSUXBSZBQ-ZPZUNKDASA-N
XLogP4.04
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.72
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175198201
tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-iodo-3-methoxybutan-2-yl]carbamate
CID 175133439
tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-oxopropan-2-yl]carbamate
CID 23240415
tert-butyl N-[(2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-(triazol-2-yl)butan-2-yl]carbamate
CID 140879225
(3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 69018009
tert-butyl (2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoate
CID 10994868
tert-butyl N-[(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-1-pyrimidin-2-ylbutan-2-yl]carbamate
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tert-butyl N-[(2R,3S)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 10698118
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 66637054
benzyl (2R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 45142389
tert-butyl N-[(2S)-15-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentadecan-2-yl]carbamate
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(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ene-1-sulfonate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate (CID 102155717) is tert-butyl N-[(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate is CC(=O)[C@@H](C)[C@H](O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate?
The InChIKey is QCXLUQSUXBSZBQ-ZPZUNKDASA-N. The full InChI is InChI=1S/C28H41NO5Si/c1-20(21(2)30)25(31)24(29-26(32)34-27(3,4)5)19-33-35(28(6,7)8,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,20,24-25,31H,19H2,1-8H3,(H,29,32)/t20-,24-,25+/m1/s1.
What are the key properties of tert-butyl N-[(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate?
tert-butyl N-[(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate has a molecular weight of 499.72 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate is sourced from PubChem (CID 102155717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).