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

C23H37N3O6Si — CID 177419216

IUPACethyl (4R,5S,6R)-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]-6-(methoxymethoxy)hexanoate
SMILESCCOC(=O)CC[C@@H](N=[N+]=[N-])[C@@H]([C@H](OCOC)[C@H]1COC(C)(C)O1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H37N3O6Si/c1-7-29-20(27)14-13-18(25-26-24)22(33(5,6)17-11-9-8-10-12-17)21(30-16-28-4)19-15-31-23(2,3)32-19/h8-12,18-19,21-22H,7,13-16H2,1-6H3/t18-,19-,21-,22+/m1/s1
InChIKeyIGNMSVPFLPJKQD-CZAYHTPWSA-N
MW479.65 g/mol
LogP4.14
Rot. Bonds13

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

ethyl (4R,5S,6R)-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]-6-(methoxymethoxy)hexanoate (PubChem CID 177419216) has the molecular formula C23H37N3O6Si and a molecular weight of 479.65 g/mol. Its IUPAC name is ethyl (4R,5S,6R)-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]-6-(methoxymethoxy)hexanoate.

Molecular Properties

Compound Nameethyl (4R,5S,6R)-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]-6-(methoxymethoxy)hexanoate
PubChem CID177419216
Molecular FormulaC23H37N3O6Si
Molecular Weight479.65 g/mol
Exact Mass479.25
IUPAC Nameethyl (4R,5S,6R)-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]-6-(methoxymethoxy)hexanoate
SMILESCCOC(=O)CC[C@@H](N=[N+]=[N-])[C@@H]([C@H](OCOC)[C@H]1COC(C)(C)O1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H37N3O6Si/c1-7-29-20(27)14-13-18(25-26-24)22(33(5,6)17-11-9-8-10-12-17)21(30-16-28-4)19-15-31-23(2,3)32-19/h8-12,18-19,21-22H,7,13-16H2,1-6H3/t18-,19-,21-,22+/m1/s1
InChIKeyIGNMSVPFLPJKQD-CZAYHTPWSA-N
XLogP4.14
TPSA111.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 54.14
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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
ethyl (4S,5R,6S)-6-acetyloxy-4-azido-5-[dimethyl(phenyl)silyl]-7-methyloctanoate
CID 101852816

Frequently Asked Questions

What is the IUPAC name of ethyl (4R,5S,6R)-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]-6-(methoxymethoxy)hexanoate?
The IUPAC name of ethyl (4R,5S,6R)-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]-6-(methoxymethoxy)hexanoate (CID 177419216) is ethyl (4R,5S,6R)-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]-6-(methoxymethoxy)hexanoate.
What is the SMILES notation for ethyl (4R,5S,6R)-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]-6-(methoxymethoxy)hexanoate?
The canonical SMILES for ethyl (4R,5S,6R)-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]-6-(methoxymethoxy)hexanoate is CCOC(=O)CC[C@@H](N=[N+]=[N-])[C@@H]([C@H](OCOC)[C@H]1COC(C)(C)O1)[Si](C)(C)c1ccccc1.
What is the InChIKey of ethyl (4R,5S,6R)-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]-6-(methoxymethoxy)hexanoate?
The InChIKey is IGNMSVPFLPJKQD-CZAYHTPWSA-N. The full InChI is InChI=1S/C23H37N3O6Si/c1-7-29-20(27)14-13-18(25-26-24)22(33(5,6)17-11-9-8-10-12-17)21(30-16-28-4)19-15-31-23(2,3)32-19/h8-12,18-19,21-22H,7,13-16H2,1-6H3/t18-,19-,21-,22+/m1/s1.
What are the key properties of ethyl (4R,5S,6R)-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]-6-(methoxymethoxy)hexanoate?
ethyl (4R,5S,6R)-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]-6-(methoxymethoxy)hexanoate has a molecular weight of 479.65 g/mol, XLogP of 4.14, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5S,6R)-4-azido-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[dimethyl(phenyl)silyl]-6-(methoxymethoxy)hexanoate is sourced from PubChem (CID 177419216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).