tert-butyl N-[(2S,4R)-5-azido-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentan-2-yl]carbamate

C26H38N4O4Si — CID 162415528

IUPACtert-butyl N-[(2S,4R)-5-azido-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](O)CN=[N+]=[N-]
InChIInChI=1S/C26H38N4O4Si/c1-25(2,3)34-24(32)29-20(17-21(31)18-28-30-27)19-33-35(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,31H,17-19H2,1-6H3,(H,29,32)/t20-,21+/m0/s1
InChIKeySAKNPZDNFSKIGA-LEWJYISDSA-N
MW498.70 g/mol
LogP4.52
Rot. Bonds10

About tert-butyl N-[(2S,4R)-5-azido-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentan-2-yl]carbamate

tert-butyl N-[(2S,4R)-5-azido-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentan-2-yl]carbamate (PubChem CID 162415528) has the molecular formula C26H38N4O4Si and a molecular weight of 498.70 g/mol. Its IUPAC name is tert-butyl N-[(2S,4R)-5-azido-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,4R)-5-azido-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentan-2-yl]carbamate
PubChem CID162415528
Molecular FormulaC26H38N4O4Si
Molecular Weight498.70 g/mol
Exact Mass498.27
IUPAC Nametert-butyl N-[(2S,4R)-5-azido-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](O)CN=[N+]=[N-]
InChIInChI=1S/C26H38N4O4Si/c1-25(2,3)34-24(32)29-20(17-21(31)18-28-30-27)19-33-35(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,31H,17-19H2,1-6H3,(H,29,32)/t20-,21+/m0/s1
InChIKeySAKNPZDNFSKIGA-LEWJYISDSA-N
XLogP4.52
TPSA116.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.70
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (R)-(1-((tert-butyldiphenylsilyl)oxy)-3-hydroxypropan-2-yl)carbamate
CID 10960965
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyheptadecan-2-yl]carbamate
CID 162651894
tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypent-4-en-2-yl]carbamate
CID 44220524
(S)-tert-butyl(1-((tert-butyldiphenylsilyl)oxy)-4-hydroxybutan-2-yl)carbamate
CID 69358153
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
(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-[(2S)-6-amino-1-[tert-butyl(diphenyl)silyl]oxyhexan-2-yl]carbamate
CID 101750563
tert-butyl N-[(2S,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-1-tri(propan-2-yl)silyloxyoctadecan-2-yl]carbamate
CID 102371631
tert-butyl N-[(3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyocta-1,7-dien-4-yl]carbamate
CID 102450325
tert-butyl N-[(3R,4S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyocta-1,7-dien-4-yl]carbamate
CID 102450326
tert-butyl N-[(3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyocta-1,7-dien-4-yl]carbamate
CID 102450327

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,4R)-5-azido-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,4R)-5-azido-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentan-2-yl]carbamate (CID 162415528) is tert-butyl N-[(2S,4R)-5-azido-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,4R)-5-azido-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,4R)-5-azido-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](O)CN=[N+]=[N-].
What is the InChIKey of tert-butyl N-[(2S,4R)-5-azido-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentan-2-yl]carbamate?
The InChIKey is SAKNPZDNFSKIGA-LEWJYISDSA-N. The full InChI is InChI=1S/C26H38N4O4Si/c1-25(2,3)34-24(32)29-20(17-21(31)18-28-30-27)19-33-35(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,31H,17-19H2,1-6H3,(H,29,32)/t20-,21+/m0/s1.
What are the key properties of tert-butyl N-[(2S,4R)-5-azido-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentan-2-yl]carbamate?
tert-butyl N-[(2S,4R)-5-azido-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentan-2-yl]carbamate has a molecular weight of 498.70 g/mol, XLogP of 4.52, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,4R)-5-azido-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentan-2-yl]carbamate is sourced from PubChem (CID 162415528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).