tert-butyl N-[(1S,2R,3R,4R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,6-trihydroxycyclohexyl]carbamate

C27H39NO6Si — CID 134837686

IUPACtert-butyl N-[(1S,2R,3R,4R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,6-trihydroxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@H](O)C[C@H]1O
InChIInChI=1S/C27H39NO6Si/c1-26(2,3)33-25(32)28-22-20(29)17-21(30)23(31)24(22)34-35(27(4,5)6,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20-24,29-31H,17H2,1-6H3,(H,28,32)/t20-,21-,22+,23-,24-/m1/s1
InChIKeyFLBXYVYTAYDMCD-GNADVCDUSA-N
MW501.70 g/mol
LogP2.31
Rot. Bonds5

About tert-butyl N-[(1S,2R,3R,4R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,6-trihydroxycyclohexyl]carbamate

tert-butyl N-[(1S,2R,3R,4R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,6-trihydroxycyclohexyl]carbamate (PubChem CID 134837686) has the molecular formula C27H39NO6Si and a molecular weight of 501.70 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R,3R,4R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,6-trihydroxycyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R,3R,4R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,6-trihydroxycyclohexyl]carbamate
PubChem CID134837686
Molecular FormulaC27H39NO6Si
Molecular Weight501.70 g/mol
Exact Mass501.25
IUPAC Nametert-butyl N-[(1S,2R,3R,4R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,6-trihydroxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@H](O)C[C@H]1O
InChIInChI=1S/C27H39NO6Si/c1-26(2,3)33-25(32)28-22-20(29)17-21(30)23(31)24(22)34-35(27(4,5)6,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20-24,29-31H,17H2,1-6H3,(H,28,32)/t20-,21-,22+,23-,24-/m1/s1
InChIKeyFLBXYVYTAYDMCD-GNADVCDUSA-N
XLogP2.31
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.70
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl N-[(1S,2S,3S,4S,6S)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,6-trihydroxycyclohexyl]carbamate
CID 102450333
tert-butyl N-[(1S,2S,3S,4S,6R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,6-trihydroxycyclohexyl]carbamate
CID 134837648
tert-butyl N-[(1S,2R,6S)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,6-trihydroxycyclohexyl]carbamate
CID 134837687
tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxypentan-2-yl]carbamate
CID 162415524
tert-butyl N-[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxyoctadecan-2-yl]carbamate
CID 51031741
[(3S,4S,5R,6R)-1-butyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxypiperidin-3-yl] N-butylcarbamate
CID 57295399
[5-[Tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamic acid
CID 69014459
[(1R,2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamic acid
CID 69014460
tert-butyl N-[(2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,3-dihydroxypropyl)oxan-3-yl]carbamate
CID 69185650
N-((2R,3R,4S,5R)-6-((Tert-butyldiphenylsilyl)oxy)-1,3,4,5-tetrahydroxyhexan-2-YL)acetamide
CID 69655757
N-[(2S,3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-1,3,4,5-tetrahydroxyhexan-2-yl]acetamide
CID 69655759
tert-butyl[(2S)-1-{[tert-butyl(diphenyl)silyl]oxy}-6-hydroxyhexan-2-yl]carbamate
CID 89938349

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R,3R,4R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,6-trihydroxycyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R,3R,4R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,6-trihydroxycyclohexyl]carbamate (CID 134837686) is tert-butyl N-[(1S,2R,3R,4R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,6-trihydroxycyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R,3R,4R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,6-trihydroxycyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R,3R,4R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,6-trihydroxycyclohexyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@H](O)C[C@H]1O.
What is the InChIKey of tert-butyl N-[(1S,2R,3R,4R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,6-trihydroxycyclohexyl]carbamate?
The InChIKey is FLBXYVYTAYDMCD-GNADVCDUSA-N. The full InChI is InChI=1S/C27H39NO6Si/c1-26(2,3)33-25(32)28-22-20(29)17-21(30)23(31)24(22)34-35(27(4,5)6,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20-24,29-31H,17H2,1-6H3,(H,28,32)/t20-,21-,22+,23-,24-/m1/s1.
What are the key properties of tert-butyl N-[(1S,2R,3R,4R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,6-trihydroxycyclohexyl]carbamate?
tert-butyl N-[(1S,2R,3R,4R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,6-trihydroxycyclohexyl]carbamate has a molecular weight of 501.70 g/mol, XLogP of 2.31, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R,3R,4R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,6-trihydroxycyclohexyl]carbamate is sourced from PubChem (CID 134837686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).