tert-butyl N-[(2S,5S,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-1-phenylmethoxyheptan-2-yl]carbamate

C35H49NO6Si — CID 11215617

IUPACtert-butyl N-[(2S,5S,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-1-phenylmethoxyheptan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)CO)COCc1ccccc1
InChIInChI=1S/C35H49NO6Si/c1-34(2,3)41-33(39)36-28(26-40-25-27-16-10-7-11-17-27)22-23-32(31(38)24-37)42-43(35(4,5)6,29-18-12-8-13-19-29)30-20-14-9-15-21-30/h7-21,28,31-32,37-38H,22-26H2,1-6H3,(H,36,39)/t28-,31-,32-/m0/s1
InChIKeyHWFPPCWLSJFYCD-MHDHXZMLSA-N
MW607.86 g/mol
LogP5.18
Rot. Bonds14

About tert-butyl N-[(2S,5S,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-1-phenylmethoxyheptan-2-yl]carbamate

tert-butyl N-[(2S,5S,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-1-phenylmethoxyheptan-2-yl]carbamate (PubChem CID 11215617) has the molecular formula C35H49NO6Si and a molecular weight of 607.86 g/mol. Its IUPAC name is tert-butyl N-[(2S,5S,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-1-phenylmethoxyheptan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,5S,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-1-phenylmethoxyheptan-2-yl]carbamate
PubChem CID11215617
Molecular FormulaC35H49NO6Si
Molecular Weight607.86 g/mol
Exact Mass607.33
IUPAC Nametert-butyl N-[(2S,5S,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-1-phenylmethoxyheptan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)CO)COCc1ccccc1
InChIInChI=1S/C35H49NO6Si/c1-34(2,3)41-33(39)36-28(26-40-25-27-16-10-7-11-17-27)22-23-32(31(38)24-37)42-43(35(4,5)6,29-18-12-8-13-19-29)30-20-14-9-15-21-30/h7-21,28,31-32,37-38H,22-26H2,1-6H3,(H,36,39)/t28-,31-,32-/m0/s1
InChIKeyHWFPPCWLSJFYCD-MHDHXZMLSA-N
XLogP5.18
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.86
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2,3-Dihydroxy-4,6-bis(phenylmethoxycarbonylamino)cyclohexyl] acetate
CID 291607
tert-butyl N-[(3S,4S,5R)-4,5-dihydroxy-1-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]nonadecan-3-yl]carbamate
CID 11845711
benzyl N-[(1S,2S,3S,4R,5S)-2,3-dihydroxy-4,5-bis(phenylmethoxy)cyclopentyl]carbamate
CID 17758490
tert-butyl N-[(1S,2R)-1-benzyl-3-[[(2R,3S)-3-[(2-benzyloxy-1,1-dimethyl-ethoxy)carbonylamino]-2-hydroxy-4-phenyl-butyl]amino]-2-hydroxy-propyl]carbamate
CID 481883
tert-butyl N-[(1S,2R)-1-benzyl-3-[[(2R,3S)-3-[(3-benzyloxy-1,1-dimethyl-propoxy)carbonylamino]-2-hydroxy-4-phenyl-butyl]amino]-2-hydroxy-propyl]carbamate
CID 481884
benzyl N-[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-4-methyloxolan-3-yl]carbamate
CID 10506136
tert-butyl N-[(2S,3R)-3-hydroxy-1-trityloxydodecan-2-yl]carbamate
CID 10530892
N-[(2S,3R,4R,5S,6R)-2-(1-hydroxy-2-methylpropyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 10973631
tert-butyl (2R,3R,4R,5R)-5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4-bis(phenylmethoxy)piperidine-1-carboxylate
CID 11082117
[(2R,3R,4R,5S,6R)-5-hydroxy-2-pent-4-enoxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxymethyl)oxan-4-yl] acetate
CID 11156538
tert-butyl N-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypentan-2-yl]carbamate
CID 11239171
tert-butyl ((1R,2S,3S,4R,5S)-5-azido-2-(benzyloxy)-3-((tert-butyldimethylsilyl)oxy)-4-hydroxycyclohexyl)carbamate
CID 11306447

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,5S,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-1-phenylmethoxyheptan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,5S,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-1-phenylmethoxyheptan-2-yl]carbamate (CID 11215617) is tert-butyl N-[(2S,5S,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-1-phenylmethoxyheptan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,5S,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-1-phenylmethoxyheptan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,5S,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-1-phenylmethoxyheptan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)CO)COCc1ccccc1.
What is the InChIKey of tert-butyl N-[(2S,5S,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-1-phenylmethoxyheptan-2-yl]carbamate?
The InChIKey is HWFPPCWLSJFYCD-MHDHXZMLSA-N. The full InChI is InChI=1S/C35H49NO6Si/c1-34(2,3)41-33(39)36-28(26-40-25-27-16-10-7-11-17-27)22-23-32(31(38)24-37)42-43(35(4,5)6,29-18-12-8-13-19-29)30-20-14-9-15-21-30/h7-21,28,31-32,37-38H,22-26H2,1-6H3,(H,36,39)/t28-,31-,32-/m0/s1.
What are the key properties of tert-butyl N-[(2S,5S,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-1-phenylmethoxyheptan-2-yl]carbamate?
tert-butyl N-[(2S,5S,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-1-phenylmethoxyheptan-2-yl]carbamate has a molecular weight of 607.86 g/mol, XLogP of 5.18, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,5S,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-1-phenylmethoxyheptan-2-yl]carbamate is sourced from PubChem (CID 11215617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).