(2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol

C22H31N3O3Si — CID 71514366

IUPAC(2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol
SMILESCC(C)(C)[Si](OCCC[C@H](O)[C@@H](CO)N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31N3O3Si/c1-22(2,3)29(18-11-6-4-7-12-18,19-13-8-5-9-14-19)28-16-10-15-21(27)20(17-26)24-25-23/h4-9,11-14,20-21,26-27H,10,15-17H2,1-3H3/t20-,21+/m1/s1
InChIKeyNVBUOUNOHRPNEI-RTWAWAEBSA-N
MW413.59 g/mol
LogP3.38
Rot. Bonds10

About (2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol

(2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol (PubChem CID 71514366) has the molecular formula C22H31N3O3Si and a molecular weight of 413.59 g/mol. Its IUPAC name is (2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol.

Molecular Properties

Compound Name(2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol
PubChem CID71514366
Molecular FormulaC22H31N3O3Si
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC Name(2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol
SMILESCC(C)(C)[Si](OCCC[C@H](O)[C@@H](CO)N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31N3O3Si/c1-22(2,3)29(18-11-6-4-7-12-18,19-13-8-5-9-14-19)28-16-10-15-21(27)20(17-26)24-25-23/h4-9,11-14,20-21,26-27H,10,15-17H2,1-3H3/t20-,21+/m1/s1
InChIKeyNVBUOUNOHRPNEI-RTWAWAEBSA-N
XLogP3.38
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 53.38
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,3S,4R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol
CID 24806188
3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane
CID 71514367
(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
[(3R)-3-azido-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methoxy-tert-butyl-diphenylsilane
CID 57930794
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
CID 58679019
(E,2S,3S)-2-azido-3-[tert-butyl(diphenyl)silyl]oxyoctadec-4-en-1-ol
CID 59032076
(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol
CID 59055138
(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]propoxy]decan-3-ol
CID 59087832
2-Azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol
CID 59426764

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol?
The IUPAC name of (2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol (CID 71514366) is (2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol.
What is the SMILES notation for (2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol?
The canonical SMILES for (2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol is CC(C)(C)[Si](OCCC[C@H](O)[C@@H](CO)N=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol?
The InChIKey is NVBUOUNOHRPNEI-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H31N3O3Si/c1-22(2,3)29(18-11-6-4-7-12-18,19-13-8-5-9-14-19)28-16-10-15-21(27)20(17-26)24-25-23/h4-9,11-14,20-21,26-27H,10,15-17H2,1-3H3/t20-,21+/m1/s1.
What are the key properties of (2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol?
(2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol has a molecular weight of 413.59 g/mol, XLogP of 3.38, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol is sourced from PubChem (CID 71514366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).