(2S,3S,4R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol

C34H55N3O3Si — CID 24806188

IUPAC(2S,3S,4R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol
SMILESCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C34H55N3O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-22-27-32(38)33(39)31(36-37-35)28-40-41(34(2,3)4,29-23-18-16-19-24-29)30-25-20-17-21-26-30/h16-21,23-26,31-33,38-39H,5-15,22,27-28H2,1-4H3/t31-,32+,33-/m0/s1
InChIKeyHLJYFFJJVMOUQV-DSPMFFIESA-N
MW581.92 g/mol
LogP8.05
Rot. Bonds21

About (2S,3S,4R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol

(2S,3S,4R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol (PubChem CID 24806188) has the molecular formula C34H55N3O3Si and a molecular weight of 581.92 g/mol. Its IUPAC name is (2S,3S,4R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol
PubChem CID24806188
Molecular FormulaC34H55N3O3Si
Molecular Weight581.92 g/mol
Exact Mass581.40
IUPAC Name(2S,3S,4R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol
SMILESCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C34H55N3O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-22-27-32(38)33(39)31(36-37-35)28-40-41(34(2,3)4,29-23-18-16-19-24-29)30-25-20-17-21-26-30/h16-21,23-26,31-33,38-39H,5-15,22,27-28H2,1-4H3/t31-,32+,33-/m0/s1
InChIKeyHLJYFFJJVMOUQV-DSPMFFIESA-N
XLogP8.05
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.92
LogP ≤ 58.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-azido-2-[(4S,5R)-2,2-dioxo-5-tetradecyl-1,3,2-dioxathiolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
CID 16038442
(2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol
CID 71514366
(2s,3r,4e)-2-azido-3-O-(butyldiphenylsilyl)-4-octadecene-1,3-diol
CID 129800760
[(2R,3S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyoctadecan-3-yl]oxy-triphenylsilane
CID 139247493
(2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-ol
CID 10673361
(2R,3S)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol
CID 11795235
(E,2S,3R)-2-azido-3-[tert-butyl(diphenyl)silyl]oxyoctadec-4-en-1-ol
CID 11092950
(3R)-1-[(2R)-2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol
CID 57757052
(2R)-4-Azido-1-{[tert-butyl(diphenyl)silyl]oxy}butan-2-ol
CID 58007222
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
CID 58679019
[(3R)-3-azidodecoxy]-tert-butyl-diphenylsilane
CID 58842051
(E,2S,3S)-2-azido-3-[tert-butyl(diphenyl)silyl]oxyoctadec-4-en-1-ol
CID 59032076

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol?
The IUPAC name of (2S,3S,4R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol (CID 24806188) is (2S,3S,4R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol.
What is the SMILES notation for (2S,3S,4R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol?
The canonical SMILES for (2S,3S,4R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol is CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-].
What is the InChIKey of (2S,3S,4R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol?
The InChIKey is HLJYFFJJVMOUQV-DSPMFFIESA-N. The full InChI is InChI=1S/C34H55N3O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-22-27-32(38)33(39)31(36-37-35)28-40-41(34(2,3)4,29-23-18-16-19-24-29)30-25-20-17-21-26-30/h16-21,23-26,31-33,38-39H,5-15,22,27-28H2,1-4H3/t31-,32+,33-/m0/s1.
What are the key properties of (2S,3S,4R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol?
(2S,3S,4R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol has a molecular weight of 581.92 g/mol, XLogP of 8.05, 21 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol is sourced from PubChem (CID 24806188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).