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

C26H39NO5Si — CID 162415524

IUPACtert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxypentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](O)CO
InChIInChI=1S/C26H39NO5Si/c1-25(2,3)32-24(30)27-20(17-21(29)18-28)19-31-33(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,28-29H,17-19H2,1-6H3,(H,27,30)/t20-,21+/m0/s1
InChIKeyGGXHCJHQBGNNQV-LEWJYISDSA-N
MW473.69 g/mol
LogP3.20
Rot. Bonds9

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

tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxypentan-2-yl]carbamate (PubChem CID 162415524) has the molecular formula C26H39NO5Si and a molecular weight of 473.69 g/mol. Its IUPAC name is tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxypentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxypentan-2-yl]carbamate
PubChem CID162415524
Molecular FormulaC26H39NO5Si
Molecular Weight473.69 g/mol
Exact Mass473.26
IUPAC Nametert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxypentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](O)CO
InChIInChI=1S/C26H39NO5Si/c1-25(2,3)32-24(30)27-20(17-21(29)18-28)19-31-33(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,28-29H,17-19H2,1-6H3,(H,27,30)/t20-,21+/m0/s1
InChIKeyGGXHCJHQBGNNQV-LEWJYISDSA-N
XLogP3.20
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.69
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (R)-(1-((tert-butyldiphenylsilyl)oxy)-3-hydroxypropan-2-yl)carbamate
CID 10960965
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyheptadecan-2-yl]carbamate
CID 162651894
tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypent-4-en-2-yl]carbamate
CID 44220524
(S)-tert-butyl(1-((tert-butyldiphenylsilyl)oxy)-4-hydroxybutan-2-yl)carbamate
CID 69358153
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
N-[1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide
CID 123983134
N-[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide
CID 148709292
tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-yl]carbamate
CID 176319448
tert-butyl N-[(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-6,6,6-trifluoro-3-(2-hydroxyethyl)hexan-2-yl]carbamate
CID 176319573
ethyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate
CID 10790036
(4R,5R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-5-ethyl-1,3-oxazolidin-2-one
CID 11281400
tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
CID 11618502

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxypentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxypentan-2-yl]carbamate (CID 162415524) is tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxypentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxypentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxypentan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](O)CO.
What is the InChIKey of tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxypentan-2-yl]carbamate?
The InChIKey is GGXHCJHQBGNNQV-LEWJYISDSA-N. The full InChI is InChI=1S/C26H39NO5Si/c1-25(2,3)32-24(30)27-20(17-21(29)18-28)19-31-33(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,28-29H,17-19H2,1-6H3,(H,27,30)/t20-,21+/m0/s1.
What are the key properties of tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxypentan-2-yl]carbamate?
tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxypentan-2-yl]carbamate has a molecular weight of 473.69 g/mol, XLogP of 3.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxypentan-2-yl]carbamate is sourced from PubChem (CID 162415524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).