tert-butyl N-[(2R,3R,4S)-4-[benzyl(hydroxy)amino]-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate

C34H46N2O4Si — CID 10531210

IUPACtert-butyl N-[(2R,3R,4S)-4-[benzyl(hydroxy)amino]-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate
SMILESC=C[C@@H]([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(O)Cc1ccccc1
InChIInChI=1S/C34H46N2O4Si/c1-9-30(36(38)25-27-19-13-10-14-20-27)31(35-32(37)39-33(3,4)5)26(2)40-41(34(6,7)8,28-21-15-11-16-22-28)29-23-17-12-18-24-29/h9-24,26,30-31,38H,1,25H2,2-8H3,(H,35,37)/t26-,30+,31+/m1/s1
InChIKeyVSNZSURHDMVVQH-JZRGNDHQSA-N
MW574.84 g/mol
LogP6.29
Rot. Bonds11

About tert-butyl N-[(2R,3R,4S)-4-[benzyl(hydroxy)amino]-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate

tert-butyl N-[(2R,3R,4S)-4-[benzyl(hydroxy)amino]-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate (PubChem CID 10531210) has the molecular formula C34H46N2O4Si and a molecular weight of 574.84 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R,4S)-4-[benzyl(hydroxy)amino]-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R,4S)-4-[benzyl(hydroxy)amino]-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate
PubChem CID10531210
Molecular FormulaC34H46N2O4Si
Molecular Weight574.84 g/mol
Exact Mass574.32
IUPAC Nametert-butyl N-[(2R,3R,4S)-4-[benzyl(hydroxy)amino]-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate
SMILESC=C[C@@H]([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(O)Cc1ccccc1
InChIInChI=1S/C34H46N2O4Si/c1-9-30(36(38)25-27-19-13-10-14-20-27)31(35-32(37)39-33(3,4)5)26(2)40-41(34(6,7)8,28-21-15-11-16-22-28)29-23-17-12-18-24-29/h9-24,26,30-31,38H,1,25H2,2-8H3,(H,35,37)/t26-,30+,31+/m1/s1
InChIKeyVSNZSURHDMVVQH-JZRGNDHQSA-N
XLogP6.29
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.84
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (3R,4R)-3-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 10580726
tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate
CID 10886125
(2R)-N-benzyl-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-1-imine oxide
CID 11060500
tert-butyl (2S,4R)-2-[(1S)-1-[benzyl(hydroxy)amino]-3-trimethylsilylprop-2-ynyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 11082862
tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-yn-2-yl]carbamate
CID 11802143
tert-butyl (2S,4R)-2-[(1S)-1-[benzyl(hydroxy)amino]prop-2-enyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 15441173
(Z)-N-[(2R,3R)-2-(tert-Butoxycarbonylamino)-3-(tert-butyldiphenylsilyloxy)butylidene]benzylamine N-oxide
CID 15441178
tert-butyl (2S,4R)-2-[(1R)-1-[benzyl(hydroxy)amino]-4-methoxy-4-oxobut-2-ynyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 100985149
tert-butyl (2S,4R)-2-[(S)-[benzyl(hydroxy)amino]-phenylmethyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 100985155
tert-butyl (2S,4R)-2-[(R)-[benzyl(hydroxy)amino]-phenylmethyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 100985156
tert-butyl (2S,4R)-2-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 100985157
tert-butyl (2S,4R)-2-[(1R)-1-[benzyl(hydroxy)amino]ethyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 100985158

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R,4S)-4-[benzyl(hydroxy)amino]-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R,4S)-4-[benzyl(hydroxy)amino]-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate (CID 10531210) is tert-butyl N-[(2R,3R,4S)-4-[benzyl(hydroxy)amino]-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R,4S)-4-[benzyl(hydroxy)amino]-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R,4S)-4-[benzyl(hydroxy)amino]-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate is C=C[C@@H]([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(O)Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(2R,3R,4S)-4-[benzyl(hydroxy)amino]-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate?
The InChIKey is VSNZSURHDMVVQH-JZRGNDHQSA-N. The full InChI is InChI=1S/C34H46N2O4Si/c1-9-30(36(38)25-27-19-13-10-14-20-27)31(35-32(37)39-33(3,4)5)26(2)40-41(34(6,7)8,28-21-15-11-16-22-28)29-23-17-12-18-24-29/h9-24,26,30-31,38H,1,25H2,2-8H3,(H,35,37)/t26-,30+,31+/m1/s1.
What are the key properties of tert-butyl N-[(2R,3R,4S)-4-[benzyl(hydroxy)amino]-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate?
tert-butyl N-[(2R,3R,4S)-4-[benzyl(hydroxy)amino]-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate has a molecular weight of 574.84 g/mol, XLogP of 6.29, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R,4S)-4-[benzyl(hydroxy)amino]-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate is sourced from PubChem (CID 10531210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).