tert-butyl N-[[(3R,4R,5S,6R)-6-phenylmethoxy-4,5-bis(trimethylsilyloxy)oxan-3-yl]methyl]carbamate

C24H43NO6Si2 — CID 12002846

IUPACtert-butyl N-[[(3R,4R,5S,6R)-6-phenylmethoxy-4,5-bis(trimethylsilyloxy)oxan-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CO[C@H](OCc2ccccc2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C24H43NO6Si2/c1-24(2,3)29-23(26)25-15-19-17-28-22(27-16-18-13-11-10-12-14-18)21(31-33(7,8)9)20(19)30-32(4,5)6/h10-14,19-22H,15-17H2,1-9H3,(H,25,26)/t19-,20-,21+,22+/m1/s1
InChIKeyNBMFRQPWFUUWPU-CZYKHXBRSA-N
MW497.78 g/mol
LogP5.14
Rot. Bonds9

About tert-butyl N-[[(3R,4R,5S,6R)-6-phenylmethoxy-4,5-bis(trimethylsilyloxy)oxan-3-yl]methyl]carbamate

tert-butyl N-[[(3R,4R,5S,6R)-6-phenylmethoxy-4,5-bis(trimethylsilyloxy)oxan-3-yl]methyl]carbamate (PubChem CID 12002846) has the molecular formula C24H43NO6Si2 and a molecular weight of 497.78 g/mol. Its IUPAC name is tert-butyl N-[[(3R,4R,5S,6R)-6-phenylmethoxy-4,5-bis(trimethylsilyloxy)oxan-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3R,4R,5S,6R)-6-phenylmethoxy-4,5-bis(trimethylsilyloxy)oxan-3-yl]methyl]carbamate
PubChem CID12002846
Molecular FormulaC24H43NO6Si2
Molecular Weight497.78 g/mol
Exact Mass497.26
IUPAC Nametert-butyl N-[[(3R,4R,5S,6R)-6-phenylmethoxy-4,5-bis(trimethylsilyloxy)oxan-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CO[C@H](OCc2ccccc2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C24H43NO6Si2/c1-24(2,3)29-23(26)25-15-19-17-28-22(27-16-18-13-11-10-12-14-18)21(31-33(7,8)9)20(19)30-32(4,5)6/h10-14,19-22H,15-17H2,1-9H3,(H,25,26)/t19-,20-,21+,22+/m1/s1
InChIKeyNBMFRQPWFUUWPU-CZYKHXBRSA-N
XLogP5.14
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.78
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[[(3R,4R,5S,6R)-6-phenylmethoxy-4,5-bis(trimethylsilyloxy)oxan-3-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl (2R,3S,4R,5R)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4-bis(phenylmethoxy)oxolane-2-carboxylate
CID 102331957
tert-butyl N-[(2R)-3-methyl-2-[(3-phenylmethoxyoxiran-2-yl)amino]butyl]carbamate
CID 138493239
[(1R,3S,4S,7S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-7-phenylmethoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl methanesulfonate
CID 11655172
benzyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate
CID 150065118
tert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate
CID 122212288
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 170945283
tert-butyl N-[(2S)-6-[(2R)-oxiran-2-yl]-2-phenylmethoxyhexyl]carbamate
CID 71614418
tert-butyl (3aS,6R,7R,7aS)-7-hydroxy-2-methyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-furo[3,2-c]pyran-3-carboxylate
CID 11728162
benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate
CID 20729715
tert-butyl N-[2-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamate
CID 87172993
tert-butyl N-[[1-benzyl-6-cyano-3,4,5-tris(phenylmethoxy)piperidin-2-yl]methyl]carbamate
CID 59824361
tert-butyl N-[[(3S,4R)-1-benzyl-4-fluoropyrrolidin-3-yl]methyl]carbamate
CID 69074919

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3R,4R,5S,6R)-6-phenylmethoxy-4,5-bis(trimethylsilyloxy)oxan-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(3R,4R,5S,6R)-6-phenylmethoxy-4,5-bis(trimethylsilyloxy)oxan-3-yl]methyl]carbamate (CID 12002846) is tert-butyl N-[[(3R,4R,5S,6R)-6-phenylmethoxy-4,5-bis(trimethylsilyloxy)oxan-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3R,4R,5S,6R)-6-phenylmethoxy-4,5-bis(trimethylsilyloxy)oxan-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3R,4R,5S,6R)-6-phenylmethoxy-4,5-bis(trimethylsilyloxy)oxan-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@@H]1CO[C@H](OCc2ccccc2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.
What is the InChIKey of tert-butyl N-[[(3R,4R,5S,6R)-6-phenylmethoxy-4,5-bis(trimethylsilyloxy)oxan-3-yl]methyl]carbamate?
The InChIKey is NBMFRQPWFUUWPU-CZYKHXBRSA-N. The full InChI is InChI=1S/C24H43NO6Si2/c1-24(2,3)29-23(26)25-15-19-17-28-22(27-16-18-13-11-10-12-14-18)21(31-33(7,8)9)20(19)30-32(4,5)6/h10-14,19-22H,15-17H2,1-9H3,(H,25,26)/t19-,20-,21+,22+/m1/s1.
What are the key properties of tert-butyl N-[[(3R,4R,5S,6R)-6-phenylmethoxy-4,5-bis(trimethylsilyloxy)oxan-3-yl]methyl]carbamate?
tert-butyl N-[[(3R,4R,5S,6R)-6-phenylmethoxy-4,5-bis(trimethylsilyloxy)oxan-3-yl]methyl]carbamate has a molecular weight of 497.78 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3R,4R,5S,6R)-6-phenylmethoxy-4,5-bis(trimethylsilyloxy)oxan-3-yl]methyl]carbamate is sourced from PubChem (CID 12002846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).