ethyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate

C25H35NO5Si — CID 10790036

IUPACethyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1C(O)O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1C
InChIInChI=1S/C25H35NO5Si/c1-6-29-24(28)26-22-18(2)21(31-23(22)27)17-30-32(25(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23,27H,6,17H2,1-5H3,(H,26,28)/t18-,21+,22+,23?/m1/s1
InChIKeyLEIUBMFLBNACQN-HTVKKVQNSA-N
MW457.64 g/mol
LogP3.03
Rot. Bonds7

About ethyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate

ethyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate (PubChem CID 10790036) has the molecular formula C25H35NO5Si and a molecular weight of 457.64 g/mol. Its IUPAC name is ethyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate
PubChem CID10790036
Molecular FormulaC25H35NO5Si
Molecular Weight457.64 g/mol
Exact Mass457.23
IUPAC Nameethyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1C(O)O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1C
InChIInChI=1S/C25H35NO5Si/c1-6-29-24(28)26-22-18(2)21(31-23(22)27)17-30-32(25(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23,27H,6,17H2,1-5H3,(H,26,28)/t18-,21+,22+,23?/m1/s1
InChIKeyLEIUBMFLBNACQN-HTVKKVQNSA-N
XLogP3.03
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-yl]carbamate
CID 176319448
benzyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate
CID 10506136
(4R,5R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-5-ethyl-1,3-oxazolidin-2-one
CID 11281400
tert-butyl N-[(1S)-1-[(4R,5R)-5-[(1S)-2-azido-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate
CID 56926559
tert-butyl N-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate
CID 56926560
tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylpentan-2-yl]carbamate
CID 138968584
tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxypentan-2-yl]carbamate
CID 162415524
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(fluoromethyl)-5-hydroxypentan-2-yl]carbamate
CID 12111287
tert-butyl N-[(4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(hydroxymethyl)hept-6-en-2-yl]carbamate
CID 58011491
tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(hydroxymethyl)hept-6-en-2-yl]carbamate
CID 58330028
[2-[[Tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamic acid
CID 89927421
[(2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamic acid
CID 89927424

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate?
The IUPAC name of ethyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate (CID 10790036) is ethyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate?
The canonical SMILES for ethyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate is CCOC(=O)N[C@@H]1C(O)O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1C.
What is the InChIKey of ethyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate?
The InChIKey is LEIUBMFLBNACQN-HTVKKVQNSA-N. The full InChI is InChI=1S/C25H35NO5Si/c1-6-29-24(28)26-22-18(2)21(31-23(22)27)17-30-32(25(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23,27H,6,17H2,1-5H3,(H,26,28)/t18-,21+,22+,23?/m1/s1.
What are the key properties of ethyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate?
ethyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate has a molecular weight of 457.64 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate is sourced from PubChem (CID 10790036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).