[(2R,3R,4R,5R)-3-azido-5-[diethyl(propan-2-yl)silyl]oxy-2-phenylsulfanyloxan-4-yl]oxy-diethyl-propan-2-ylsilane

C25H45N3O3SSi2 — CID 56833678

IUPAC[(2R,3R,4R,5R)-3-azido-5-[diethyl(propan-2-yl)silyl]oxy-2-phenylsulfanyloxan-4-yl]oxy-diethyl-propan-2-ylsilane
SMILESCC[Si](CC)(O[C@@H]1[C@@H](N=[N+]=[N-])[C@@H](Sc2ccccc2)OC[C@H]1O[Si](CC)(CC)C(C)C)C(C)C
InChIInChI=1S/C25H45N3O3SSi2/c1-9-33(10-2,19(5)6)30-22-18-29-25(32-21-16-14-13-15-17-21)23(27-28-26)24(22)31-34(11-3,12-4)20(7)8/h13-17,19-20,22-25H,9-12,18H2,1-8H3/t22-,23-,24+,25-/m1/s1
InChIKeyQFNVOODITUEXKR-ZKGSSEMHSA-N
MW523.89 g/mol
LogP8.37
Rot. Bonds13

About [(2R,3R,4R,5R)-3-azido-5-[diethyl(propan-2-yl)silyl]oxy-2-phenylsulfanyloxan-4-yl]oxy-diethyl-propan-2-ylsilane

[(2R,3R,4R,5R)-3-azido-5-[diethyl(propan-2-yl)silyl]oxy-2-phenylsulfanyloxan-4-yl]oxy-diethyl-propan-2-ylsilane (PubChem CID 56833678) has the molecular formula C25H45N3O3SSi2 and a molecular weight of 523.89 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3-azido-5-[diethyl(propan-2-yl)silyl]oxy-2-phenylsulfanyloxan-4-yl]oxy-diethyl-propan-2-ylsilane.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-3-azido-5-[diethyl(propan-2-yl)silyl]oxy-2-phenylsulfanyloxan-4-yl]oxy-diethyl-propan-2-ylsilane
PubChem CID56833678
Molecular FormulaC25H45N3O3SSi2
Molecular Weight523.89 g/mol
Exact Mass523.27
IUPAC Name[(2R,3R,4R,5R)-3-azido-5-[diethyl(propan-2-yl)silyl]oxy-2-phenylsulfanyloxan-4-yl]oxy-diethyl-propan-2-ylsilane
SMILESCC[Si](CC)(O[C@@H]1[C@@H](N=[N+]=[N-])[C@@H](Sc2ccccc2)OC[C@H]1O[Si](CC)(CC)C(C)C)C(C)C
InChIInChI=1S/C25H45N3O3SSi2/c1-9-33(10-2,19(5)6)30-22-18-29-25(32-21-16-14-13-15-17-21)23(27-28-26)24(22)31-34(11-3,12-4)20(7)8/h13-17,19-20,22-25H,9-12,18H2,1-8H3/t22-,23-,24+,25-/m1/s1
InChIKeyQFNVOODITUEXKR-ZKGSSEMHSA-N
XLogP8.37
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.89
LogP ≤ 58.37
H-Bond Donors ≤ 50
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'}

Analyze [(2R,3R,4R,5R)-3-azido-5-[diethyl(propan-2-yl)silyl]oxy-2-phenylsulfanyloxan-4-yl]oxy-diethyl-propan-2-ylsilane 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 [(2R,3R,4R,5R)-3-azido-5-[diethyl(propan-2-yl)silyl]oxy-2-phenylsulfanyloxan-4-yl]oxy-diethyl-propan-2-ylsilane?
The IUPAC name of [(2R,3R,4R,5R)-3-azido-5-[diethyl(propan-2-yl)silyl]oxy-2-phenylsulfanyloxan-4-yl]oxy-diethyl-propan-2-ylsilane (CID 56833678) is [(2R,3R,4R,5R)-3-azido-5-[diethyl(propan-2-yl)silyl]oxy-2-phenylsulfanyloxan-4-yl]oxy-diethyl-propan-2-ylsilane.
What is the SMILES notation for [(2R,3R,4R,5R)-3-azido-5-[diethyl(propan-2-yl)silyl]oxy-2-phenylsulfanyloxan-4-yl]oxy-diethyl-propan-2-ylsilane?
The canonical SMILES for [(2R,3R,4R,5R)-3-azido-5-[diethyl(propan-2-yl)silyl]oxy-2-phenylsulfanyloxan-4-yl]oxy-diethyl-propan-2-ylsilane is CC[Si](CC)(O[C@@H]1[C@@H](N=[N+]=[N-])[C@@H](Sc2ccccc2)OC[C@H]1O[Si](CC)(CC)C(C)C)C(C)C.
What is the InChIKey of [(2R,3R,4R,5R)-3-azido-5-[diethyl(propan-2-yl)silyl]oxy-2-phenylsulfanyloxan-4-yl]oxy-diethyl-propan-2-ylsilane?
The InChIKey is QFNVOODITUEXKR-ZKGSSEMHSA-N. The full InChI is InChI=1S/C25H45N3O3SSi2/c1-9-33(10-2,19(5)6)30-22-18-29-25(32-21-16-14-13-15-17-21)23(27-28-26)24(22)31-34(11-3,12-4)20(7)8/h13-17,19-20,22-25H,9-12,18H2,1-8H3/t22-,23-,24+,25-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-3-azido-5-[diethyl(propan-2-yl)silyl]oxy-2-phenylsulfanyloxan-4-yl]oxy-diethyl-propan-2-ylsilane?
[(2R,3R,4R,5R)-3-azido-5-[diethyl(propan-2-yl)silyl]oxy-2-phenylsulfanyloxan-4-yl]oxy-diethyl-propan-2-ylsilane has a molecular weight of 523.89 g/mol, XLogP of 8.37, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-3-azido-5-[diethyl(propan-2-yl)silyl]oxy-2-phenylsulfanyloxan-4-yl]oxy-diethyl-propan-2-ylsilane is sourced from PubChem (CID 56833678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).