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

C23H31N3O4SSi — CID 58678948

IUPAC(3S,4R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol
SMILESCS[C@@H]1OC(CO)[C@H](O)[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1N=[N+]=[N-]
InChIInChI=1S/C23H31N3O4SSi/c1-23(2,3)32(16-11-7-5-8-12-16,17-13-9-6-10-14-17)30-21-19(25-26-24)22(31-4)29-18(15-27)20(21)28/h5-14,18-22,27-28H,15H2,1-4H3/t18?,19?,20-,21+,22-/m0/s1
InChIKeyDCGGUGJFXFXFSQ-ZHMMRPBMSA-N
MW473.67 g/mol
LogP3.05
Rot. Bonds7

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

(3S,4R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol (PubChem CID 58678948) has the molecular formula C23H31N3O4SSi and a molecular weight of 473.67 g/mol. Its IUPAC name is (3S,4R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol.

Molecular Properties

Compound Name(3S,4R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol
PubChem CID58678948
Molecular FormulaC23H31N3O4SSi
Molecular Weight473.67 g/mol
Exact Mass473.18
IUPAC Name(3S,4R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol
SMILESCS[C@@H]1OC(CO)[C@H](O)[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1N=[N+]=[N-]
InChIInChI=1S/C23H31N3O4SSi/c1-23(2,3)32(16-11-7-5-8-12-16,17-13-9-6-10-14-17)30-21-19(25-26-24)22(31-4)29-18(15-27)20(21)28/h5-14,18-22,27-28H,15H2,1-4H3/t18?,19?,20-,21+,22-/m0/s1
InChIKeyDCGGUGJFXFXFSQ-ZHMMRPBMSA-N
XLogP3.05
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.67
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze (3S,4R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol?
The IUPAC name of (3S,4R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol (CID 58678948) is (3S,4R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol.
What is the SMILES notation for (3S,4R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol?
The canonical SMILES for (3S,4R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol is CS[C@@H]1OC(CO)[C@H](O)[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1N=[N+]=[N-].
What is the InChIKey of (3S,4R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol?
The InChIKey is DCGGUGJFXFXFSQ-ZHMMRPBMSA-N. The full InChI is InChI=1S/C23H31N3O4SSi/c1-23(2,3)32(16-11-7-5-8-12-16,17-13-9-6-10-14-17)30-21-19(25-26-24)22(31-4)29-18(15-27)20(21)28/h5-14,18-22,27-28H,15H2,1-4H3/t18?,19?,20-,21+,22-/m0/s1.
What are the key properties of (3S,4R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol?
(3S,4R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol has a molecular weight of 473.67 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol is sourced from PubChem (CID 58678948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).