ethyl (4R,5S,6R)-6-acetyloxy-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]hexanoate

C23H35N3O6Si — CID 11386024

IUPACethyl (4R,5S,6R)-6-acetyloxy-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]hexanoate
SMILESCCOC(=O)CC[C@@H](N=[N+]=[N-])[C@@H]([C@H](OC(C)=O)[C@H]1COC(C)(C)O1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H35N3O6Si/c1-7-29-20(28)14-13-18(25-26-24)22(33(5,6)17-11-9-8-10-12-17)21(31-16(2)27)19-15-30-23(3,4)32-19/h8-12,18-19,21-22H,7,13-15H2,1-6H3/t18-,19-,21-,22+/m1/s1
InChIKeyFDHRRAHLFBSVQJ-CZAYHTPWSA-N
MW477.63 g/mol
LogP4.08
Rot. Bonds11

About ethyl (4R,5S,6R)-6-acetyloxy-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]hexanoate

ethyl (4R,5S,6R)-6-acetyloxy-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]hexanoate (PubChem CID 11386024) has the molecular formula C23H35N3O6Si and a molecular weight of 477.63 g/mol. Its IUPAC name is ethyl (4R,5S,6R)-6-acetyloxy-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]hexanoate.

Molecular Properties

Compound Nameethyl (4R,5S,6R)-6-acetyloxy-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]hexanoate
PubChem CID11386024
Molecular FormulaC23H35N3O6Si
Molecular Weight477.63 g/mol
Exact Mass477.23
IUPAC Nameethyl (4R,5S,6R)-6-acetyloxy-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]hexanoate
SMILESCCOC(=O)CC[C@@H](N=[N+]=[N-])[C@@H]([C@H](OC(C)=O)[C@H]1COC(C)(C)O1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H35N3O6Si/c1-7-29-20(28)14-13-18(25-26-24)22(33(5,6)17-11-9-8-10-12-17)21(31-16(2)27)19-15-30-23(3,4)32-19/h8-12,18-19,21-22H,7,13-15H2,1-6H3/t18-,19-,21-,22+/m1/s1
InChIKeyFDHRRAHLFBSVQJ-CZAYHTPWSA-N
XLogP4.08
TPSA119.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of ethyl (4R,5S,6R)-6-acetyloxy-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]hexanoate?
The IUPAC name of ethyl (4R,5S,6R)-6-acetyloxy-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]hexanoate (CID 11386024) is ethyl (4R,5S,6R)-6-acetyloxy-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]hexanoate.
What is the SMILES notation for ethyl (4R,5S,6R)-6-acetyloxy-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]hexanoate?
The canonical SMILES for ethyl (4R,5S,6R)-6-acetyloxy-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]hexanoate is CCOC(=O)CC[C@@H](N=[N+]=[N-])[C@@H]([C@H](OC(C)=O)[C@H]1COC(C)(C)O1)[Si](C)(C)c1ccccc1.
What is the InChIKey of ethyl (4R,5S,6R)-6-acetyloxy-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]hexanoate?
The InChIKey is FDHRRAHLFBSVQJ-CZAYHTPWSA-N. The full InChI is InChI=1S/C23H35N3O6Si/c1-7-29-20(28)14-13-18(25-26-24)22(33(5,6)17-11-9-8-10-12-17)21(31-16(2)27)19-15-30-23(3,4)32-19/h8-12,18-19,21-22H,7,13-15H2,1-6H3/t18-,19-,21-,22+/m1/s1.
What are the key properties of ethyl (4R,5S,6R)-6-acetyloxy-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]hexanoate?
ethyl (4R,5S,6R)-6-acetyloxy-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]hexanoate has a molecular weight of 477.63 g/mol, XLogP of 4.08, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5S,6R)-6-acetyloxy-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]hexanoate is sourced from PubChem (CID 11386024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).