(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol

C24H33N3O3SSi — CID 58400077

IUPAC(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol
SMILESCS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](O)C1C
InChIInChI=1S/C24H33N3O3SSi/c1-17-22(28)21(26-27-25)20(30-23(17)31-5)16-29-32(24(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-23,28H,16H2,1-5H3/t17?,20?,21-,22+,23-/m0/s1
InChIKeyPMBQNOVNRCOOEZ-XZWZPKQTSA-N
MW471.70 g/mol
LogP4.33
Rot. Bonds7

About (3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol

(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol (PubChem CID 58400077) has the molecular formula C24H33N3O3SSi and a molecular weight of 471.70 g/mol. Its IUPAC name is (3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol.

Molecular Properties

Compound Name(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol
PubChem CID58400077
Molecular FormulaC24H33N3O3SSi
Molecular Weight471.70 g/mol
Exact Mass471.20
IUPAC Name(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol
SMILESCS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](O)C1C
InChIInChI=1S/C24H33N3O3SSi/c1-17-22(28)21(26-27-25)20(30-23(17)31-5)16-29-32(24(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-23,28H,16H2,1-5H3/t17?,20?,21-,22+,23-/m0/s1
InChIKeyPMBQNOVNRCOOEZ-XZWZPKQTSA-N
XLogP4.33
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.70
LogP ≤ 54.33
H-Bond Donors ≤ 51
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

[(3R,4R,6S)-3-azido-4,5-dimethyl-6-methylsulfanyloxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 57747719
(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol
CID 58400098
(3R,4R,6S)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-3-ol
CID 58678941
(3S,4R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol
CID 58678948
(3R,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxane-3,4-diol
CID 58678972
(3R,4R)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-3-ol
CID 59343781
(3R,4R,5R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6-methylsulfanyloxan-3-ol
CID 60038004
CID 60038009
CID 60038009
CID 60038019
CID 60038019
(2S)-3-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylsulfanyloxan-4-ol
CID 71088237
(3S,4R,5S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxane-3,4-diol
CID 71200618
[4-[(3R,5S,6S)-5-azido-3,4-dibutoxy-6-methylsulfanyloxan-2-yl]-2-methylbutan-2-yl]-hydroxy-diphenylsilane
CID 89468072

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol?
The IUPAC name of (3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol (CID 58400077) is (3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol.
What is the SMILES notation for (3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol?
The canonical SMILES for (3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol is CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](O)C1C.
What is the InChIKey of (3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol?
The InChIKey is PMBQNOVNRCOOEZ-XZWZPKQTSA-N. The full InChI is InChI=1S/C24H33N3O3SSi/c1-17-22(28)21(26-27-25)20(30-23(17)31-5)16-29-32(24(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-23,28H,16H2,1-5H3/t17?,20?,21-,22+,23-/m0/s1.
What are the key properties of (3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol?
(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol has a molecular weight of 471.70 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol is sourced from PubChem (CID 58400077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).