(3R,4R)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-3-ol

C23H31N3O3Si — CID 59343781

IUPAC(3R,4R)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-3-ol
SMILESCC1COC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C23H31N3O3Si/c1-17-15-28-20(22(27)21(17)25-26-24)16-29-30(23(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20-22,27H,15-16H2,1-4H3/t17?,20?,21-,22+/m1/s1
InChIKeyZNSMPVXXOGDZDF-CDMHEIPLSA-N
MW425.61 g/mol
LogP3.64
Rot. Bonds6

About (3R,4R)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-3-ol

(3R,4R)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-3-ol (PubChem CID 59343781) has the molecular formula C23H31N3O3Si and a molecular weight of 425.61 g/mol. Its IUPAC name is (3R,4R)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-3-ol
PubChem CID59343781
Molecular FormulaC23H31N3O3Si
Molecular Weight425.61 g/mol
Exact Mass425.21
IUPAC Name(3R,4R)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-3-ol
SMILESCC1COC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C23H31N3O3Si/c1-17-15-28-20(22(27)21(17)25-26-24)16-29-30(23(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20-22,27H,15-16H2,1-4H3/t17?,20?,21-,22+/m1/s1
InChIKeyZNSMPVXXOGDZDF-CDMHEIPLSA-N
XLogP3.64
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.61
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Launch Full Analysis

Related Compounds

(1S)-1-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethane-1,2-diol
CID 57551944
(3R,4R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methyloxan-3-ol
CID 57712764
(3R,4R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 57712811
(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol
CID 58400077
(3R,4R,6S)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-3-ol
CID 58678941
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
CID 58679019
(3R,4R,5R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6-methylsulfanyloxan-3-ol
CID 60038004
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol
CID 60047861
1,5-anhydro-4-azido-6-O-(tert-butyl(diphenyl)silyl)-2,3,4-trideoxy-D-erythro-hexitol
CID 86709003
(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]-2-(hydroxymethyl)oxane-3,4-diol
CID 89404958
(3S,5S,6S)-5-azido-6-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-2-(hydroxymethyl)oxane-3,4-diol
CID 89467995
(3S,6S)-5-azido-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-6-methylsulfanyloxane-3,4-diol
CID 89529811

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-3-ol?
The IUPAC name of (3R,4R)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-3-ol (CID 59343781) is (3R,4R)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-3-ol.
What is the SMILES notation for (3R,4R)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-3-ol?
The canonical SMILES for (3R,4R)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-3-ol is CC1COC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@@H]1N=[N+]=[N-].
What is the InChIKey of (3R,4R)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-3-ol?
The InChIKey is ZNSMPVXXOGDZDF-CDMHEIPLSA-N. The full InChI is InChI=1S/C23H31N3O3Si/c1-17-15-28-20(22(27)21(17)25-26-24)16-29-30(23(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20-22,27H,15-16H2,1-4H3/t17?,20?,21-,22+/m1/s1.
What are the key properties of (3R,4R)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-3-ol?
(3R,4R)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-3-ol has a molecular weight of 425.61 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-3-ol is sourced from PubChem (CID 59343781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).