tert-butyl N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-1-trityloxybutan-2-yl]carbamate

C34H45NO5Si — CID 71817268

IUPACtert-butyl N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-1-trityloxybutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H45NO5Si/c1-32(2,3)39-31(37)35-29(30(24-36)40-41(7,8)33(4,5)6)25-38-34(26-18-12-9-13-19-26,27-20-14-10-15-21-27)28-22-16-11-17-23-28/h9-24,29-30H,25H2,1-8H3,(H,35,37)/t29-,30+/m0/s1
InChIKeyRZVAIRDQZVNUGU-XZWHSSHBSA-N
MW575.82 g/mol
LogP7.48
Rot. Bonds11

About tert-butyl N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-1-trityloxybutan-2-yl]carbamate

tert-butyl N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-1-trityloxybutan-2-yl]carbamate (PubChem CID 71817268) has the molecular formula C34H45NO5Si and a molecular weight of 575.82 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-1-trityloxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-1-trityloxybutan-2-yl]carbamate
PubChem CID71817268
Molecular FormulaC34H45NO5Si
Molecular Weight575.82 g/mol
Exact Mass575.31
IUPAC Nametert-butyl N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-1-trityloxybutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H45NO5Si/c1-32(2,3)39-31(37)35-29(30(24-36)40-41(7,8)33(4,5)6)25-38-34(26-18-12-9-13-19-26,27-20-14-10-15-21-27)28-22-16-11-17-23-28/h9-24,29-30H,25H2,1-8H3,(H,35,37)/t29-,30+/m0/s1
InChIKeyRZVAIRDQZVNUGU-XZWHSSHBSA-N
XLogP7.48
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.82
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 10526313
tert-butyl N-(1-oxo-3-trityloxypropan-2-yl)carbamate
CID 58675520
methyl (2S)-4-[(2R,3S,4S)-1-(4-fluorophenyl)-4-phenylmethoxy-3-tri(propan-2-yl)silyloxypentan-2-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 141487282
methyl 4-[(2R,3S,4S)-1-(4-fluorophenyl)-4-phenylmethoxy-3-tri(propan-2-yl)silyloxypentan-2-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 173728818
Methyl 4-[1-(4-fluorophenyl)-4-phenylmethoxy-3-tri(propan-2-yl)silyloxypentan-2-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 173728819
tert-butyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-oxo-3-phenylmethoxyoctadecan-2-yl]carbamate
CID 23634961
[(E,2S,3S)-6-[(2S,6S)-6-[(2E)-6-(acetyloxymethyl)-4-phenylmethoxyhepta-2,6-dienyl]-4-methylideneoxan-2-yl]-1-[tert-butyl(diphenyl)silyl]oxy-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-en-3-yl] (E)-3-tributylstannylprop-2-enoate
CID 25022982
tert-butyl N-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(1S,2E,5S,8E,14E,17S)-3-methyl-11,19-dimethylidene-7-oxo-13-phenylmethoxy-6,21-dioxabicyclo[15.3.1]henicosa-2,8,14-trien-5-yl]ethyl]carbamate
CID 25022983
benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-yl]carbamate
CID 134841447
benzyl N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxobutan-2-yl]carbamate
CID 134852254
benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-yl]carbamate
CID 134852475
benzyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-yl]carbamate
CID 134852478

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-1-trityloxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-1-trityloxybutan-2-yl]carbamate (CID 71817268) is tert-butyl N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-1-trityloxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-1-trityloxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-1-trityloxybutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-1-trityloxybutan-2-yl]carbamate?
The InChIKey is RZVAIRDQZVNUGU-XZWHSSHBSA-N. The full InChI is InChI=1S/C34H45NO5Si/c1-32(2,3)39-31(37)35-29(30(24-36)40-41(7,8)33(4,5)6)25-38-34(26-18-12-9-13-19-26,27-20-14-10-15-21-27)28-22-16-11-17-23-28/h9-24,29-30H,25H2,1-8H3,(H,35,37)/t29-,30+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-1-trityloxybutan-2-yl]carbamate?
tert-butyl N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-1-trityloxybutan-2-yl]carbamate has a molecular weight of 575.82 g/mol, XLogP of 7.48, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-1-trityloxybutan-2-yl]carbamate is sourced from PubChem (CID 71817268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).