methyl (3S)-3-[(4R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-1,3-dioxan-4-yl]-3-hydroxy-2,2-dimethylpropanoate

About methyl (3S)-3-[(4R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-1,3-dioxan-4-yl]-3-hydroxy-2,2-dimethylpropanoate

methyl (3S)-3-[(4R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-1,3-dioxan-4-yl]-3-hydroxy-2,2-dimethylpropanoate (PubChem CID 134939420) has the molecular formula C24H40O7Si and a molecular weight of 468.66 g/mol. Its IUPAC name is methyl (3S)-3-[(4R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-1,3-dioxan-4-yl]-3-hydroxy-2,2-dimethylpropanoate.

Molecular Properties

Compound Name	methyl (3S)-3-[(4R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-1,3-dioxan-4-yl]-3-hydroxy-2,2-dimethylpropanoate
PubChem CID	134939420
Molecular Formula	C24H40O7Si
Molecular Weight	468.66 g/mol
Exact Mass	468.25
IUPAC Name	methyl (3S)-3-[(4R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-1,3-dioxan-4-yl]-3-hydroxy-2,2-dimethylpropanoate
SMILES	COC(=O)C(C)(C)[C@H](O)[C@H]1OCO[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1OCc1ccccc1
InChI	InChI=1S/C24H40O7Si/c1-23(2,3)32(7,8)31-15-18-19(28-14-17-12-10-9-11-13-17)20(30-16-29-18)21(25)24(4,5)22(26)27-6/h9-13,18-21,25H,14-16H2,1-8H3/t18-,19-,20+,21-/m1/s1
InChIKey	AXHNSMQUVYTPNU-MXEMCNAFSA-N
XLogP	3.90
TPSA	83.45 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	9
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.66
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[(4R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-1,3-dioxan-4-yl]-3-hydroxy-2,2-dimethylpropanoate?

The IUPAC name of methyl (3S)-3-[(4R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-1,3-dioxan-4-yl]-3-hydroxy-2,2-dimethylpropanoate (CID 134939420) is methyl (3S)-3-[(4R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-1,3-dioxan-4-yl]-3-hydroxy-2,2-dimethylpropanoate.

What is the SMILES notation for methyl (3S)-3-[(4R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-1,3-dioxan-4-yl]-3-hydroxy-2,2-dimethylpropanoate?

The canonical SMILES for methyl (3S)-3-[(4R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-1,3-dioxan-4-yl]-3-hydroxy-2,2-dimethylpropanoate is COC(=O)C(C)(C)[C@H](O)[C@H]1OCO[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1OCc1ccccc1.

What is the InChIKey of methyl (3S)-3-[(4R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-1,3-dioxan-4-yl]-3-hydroxy-2,2-dimethylpropanoate?

The InChIKey is AXHNSMQUVYTPNU-MXEMCNAFSA-N. The full InChI is InChI=1S/C24H40O7Si/c1-23(2,3)32(7,8)31-15-18-19(28-14-17-12-10-9-11-13-17)20(30-16-29-18)21(25)24(4,5)22(26)27-6/h9-13,18-21,25H,14-16H2,1-8H3/t18-,19-,20+,21-/m1/s1.

What are the key properties of methyl (3S)-3-[(4R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-1,3-dioxan-4-yl]-3-hydroxy-2,2-dimethylpropanoate?

methyl (3S)-3-[(4R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-1,3-dioxan-4-yl]-3-hydroxy-2,2-dimethylpropanoate has a molecular weight of 468.66 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (3S)-3-[(4R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxy-1,3-dioxan-4-yl]-3-hydroxy-2,2-dimethylpropanoate is sourced from PubChem (CID 134939420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).