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

C31H41NO4Si — CID 146170155

IUPACtert-butyl N-[(2R,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-phenylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H41NO4Si/c1-30(2,3)36-29(34)32-27(22-24-16-10-7-11-17-24)28(33)23-35-37(31(4,5)6,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h7-21,27-28,33H,22-23H2,1-6H3,(H,32,34)/t27-,28+/m1/s1
InChIKeyZHPXUGRWPXDUQO-IZLXSDGUSA-N
MW519.76 g/mol
LogP5.06
Rot. Bonds9

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

tert-butyl N-[(2R,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-phenylbutan-2-yl]carbamate (PubChem CID 146170155) has the molecular formula C31H41NO4Si and a molecular weight of 519.76 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-phenylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-phenylbutan-2-yl]carbamate
PubChem CID146170155
Molecular FormulaC31H41NO4Si
Molecular Weight519.76 g/mol
Exact Mass519.28
IUPAC Nametert-butyl N-[(2R,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-phenylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H41NO4Si/c1-30(2,3)36-29(34)32-27(22-24-16-10-7-11-17-24)28(33)23-35-37(31(4,5)6,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h7-21,27-28,33H,22-23H2,1-6H3,(H,32,34)/t27-,28+/m1/s1
InChIKeyZHPXUGRWPXDUQO-IZLXSDGUSA-N
XLogP5.06
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.76
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(2R,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-phenylbutan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

Di-Tert-Butyl {iminobis[(2s,3s)-3-Hydroxy-1-Phenylbutane-4,2-Diyl]}biscarbamate
CID 447617
Aminodiol deriv. 15a
CID 455712
propan-2-yl N-[(2S,3R)-3-hydroxy-4-{[(2R,3S)-2-hydroxy-4-phenyl-3-{[(propan-2-yloxy)carbonyl]amino}butyl]amino}-1-phenylbutan-2-yl]carbamate
CID 455715
L-Iditol, 1,2,5,6-tetradeoxy-2,5-bis(((1,1-dimethylethoxy)carbonyl)amino)-1,6-diphenyl-
CID 452451
L-Altritol, 1,2,5,6-tetradeoxy-2,5-bis(((1,1-dimethylethoxy)carbonyl)amino)-1,6-diphenyl-
CID 452453
tert-butyl N-[(1S,2S,4S)-1-benzyl-4-(tert-butoxycarbonylamino)-2-hydroxy-5-phenyl-pentyl]carbamate
CID 454384
((1S,2S,3S,4S)-1-Benzyl-4-tert-butoxycarbonylamino-2,3-dihydroxy-5-phenyl-pentyl)-carbamic acid tert-butyl ester
CID 10255433
1,1-Dimethylethyl N-[(1R)-1-(hydroxymethyl)-2,2-diphenylethyl]carbamate
CID 20055630
5-tert-Butyloxycarbonylamino-2-amino-3-hydroxy-1,6-diphenylhexane, (2S,3S,5S)-
CID 11997926
2,2-dimethylpropyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(2,2-dimethylpropoxy)carbonyl]amino}-2-hydroxy-4-phenylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 455716
tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butoxy)carbonyl](methyl)amino}-2-hydroxy-4-phenylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 455720
tert-butyl N-[(2R)-2-hydroxy-1-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-5-phenylpentan-3-yl]carbamate
CID 44294678

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-phenylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-phenylbutan-2-yl]carbamate (CID 146170155) is tert-butyl N-[(2R,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-phenylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-phenylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-phenylbutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-phenylbutan-2-yl]carbamate?
The InChIKey is ZHPXUGRWPXDUQO-IZLXSDGUSA-N. The full InChI is InChI=1S/C31H41NO4Si/c1-30(2,3)36-29(34)32-27(22-24-16-10-7-11-17-24)28(33)23-35-37(31(4,5)6,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h7-21,27-28,33H,22-23H2,1-6H3,(H,32,34)/t27-,28+/m1/s1.
What are the key properties of tert-butyl N-[(2R,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-phenylbutan-2-yl]carbamate?
tert-butyl N-[(2R,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-phenylbutan-2-yl]carbamate has a molecular weight of 519.76 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-phenylbutan-2-yl]carbamate is sourced from PubChem (CID 146170155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).