tert-butyl N-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-phenylmethoxypentan-2-yl]carbamate

C38H53NO7Si — CID 11308348

IUPACtert-butyl N-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-phenylmethoxypentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(O)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C38H53NO7Si/c1-36(2,3)45-35(41)39-29(26-42-25-28-18-12-9-13-19-28)24-32(40)34(33-27-43-38(7,8)44-33)46-47(37(4,5)6,30-20-14-10-15-21-30)31-22-16-11-17-23-31/h9-23,29,32-34,40H,24-27H2,1-8H3,(H,39,41)/t29-,32?,33-,34-/m0/s1
InChIKeyGGUGLRUTMAOTDI-RVDATWKOSA-N
MW663.93 g/mol
LogP5.94
Rot. Bonds13

About tert-butyl N-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-phenylmethoxypentan-2-yl]carbamate

tert-butyl N-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-phenylmethoxypentan-2-yl]carbamate (PubChem CID 11308348) has the molecular formula C38H53NO7Si and a molecular weight of 663.93 g/mol. Its IUPAC name is tert-butyl N-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-phenylmethoxypentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-phenylmethoxypentan-2-yl]carbamate
PubChem CID11308348
Molecular FormulaC38H53NO7Si
Molecular Weight663.93 g/mol
Exact Mass663.36
IUPAC Nametert-butyl N-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-phenylmethoxypentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(O)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C38H53NO7Si/c1-36(2,3)45-35(41)39-29(26-42-25-28-18-12-9-13-19-28)24-32(40)34(33-27-43-38(7,8)44-33)46-47(37(4,5)6,30-20-14-10-15-21-30)31-22-16-11-17-23-31/h9-23,29,32-34,40H,24-27H2,1-8H3,(H,39,41)/t29-,32?,33-,34-/m0/s1
InChIKeyGGUGLRUTMAOTDI-RVDATWKOSA-N
XLogP5.94
TPSA95.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.93
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

((3R,5R,6R)-4-Benzyloxy-3,5-dihydroxy-6-methoxy-tetrahydro-pyran-2-ylmethyl)-carbamic acid benzyl ester
CID 44294948
benzyl N-[[(3R,4S,5S,6R)-4-benzyloxy-3,5-dihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl]carbamate
CID 493776
[(2R,3S,4S,5R)-5-acetamido-3-acetoxy-6-hydroxy-4-[(2S,3R,4R,5S,6S)-3,4,5-tribenzyloxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate
CID 511036
N-[2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 313289
N-[5-hydroxy-6-(hydroxymethyl)-2,4-bis(phenylmethoxy)oxan-3-yl]acetamide
CID 314450
1,3-Di-O-acetyl-2-(acetylamino)-2-deoxy-6-O-tritylhexopyranose
CID 314458
benzyl N-[[(2S,3R,4R,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methyl]carbamate
CID 452502
N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 15173454
benzyl N-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-(5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl)propyl]carbamate
CID 134920344
2-(Acetylamino)-2-deoxy-3,4,6-tris-O-(phenylmethyl)-D-glucopyranose
CID 11762713
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-phenylmethoxypentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-phenylmethoxypentan-2-yl]carbamate (CID 11308348) is tert-butyl N-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-phenylmethoxypentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-phenylmethoxypentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-phenylmethoxypentan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(O)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl N-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-phenylmethoxypentan-2-yl]carbamate?
The InChIKey is GGUGLRUTMAOTDI-RVDATWKOSA-N. The full InChI is InChI=1S/C38H53NO7Si/c1-36(2,3)45-35(41)39-29(26-42-25-28-18-12-9-13-19-28)24-32(40)34(33-27-43-38(7,8)44-33)46-47(37(4,5)6,30-20-14-10-15-21-30)31-22-16-11-17-23-31/h9-23,29,32-34,40H,24-27H2,1-8H3,(H,39,41)/t29-,32?,33-,34-/m0/s1.
What are the key properties of tert-butyl N-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-phenylmethoxypentan-2-yl]carbamate?
tert-butyl N-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-phenylmethoxypentan-2-yl]carbamate has a molecular weight of 663.93 g/mol, XLogP of 5.94, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-phenylmethoxypentan-2-yl]carbamate is sourced from PubChem (CID 11308348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).