3-O-tert-butyl 4-O-methyl (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxazinane-3,4-dicarboxylate

C28H39NO6Si — CID 101403172

IUPAC3-O-tert-butyl 4-O-methyl (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxazinane-3,4-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCN1C(=O)OC(C)(C)C
InChIInChI=1S/C28H39NO6Si/c1-27(2,3)35-26(31)29-20-33-21(18-24(29)25(30)32-7)19-34-36(28(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21,24H,18-20H2,1-7H3/t21-,24+/m1/s1
InChIKeyMYZVBODTGZSMQY-QPPBQGQZSA-N
MW513.71 g/mol
LogP4.09
Rot. Bonds6

About 3-O-tert-butyl 4-O-methyl (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxazinane-3,4-dicarboxylate

3-O-tert-butyl 4-O-methyl (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxazinane-3,4-dicarboxylate (PubChem CID 101403172) has the molecular formula C28H39NO6Si and a molecular weight of 513.71 g/mol. Its IUPAC name is 3-O-tert-butyl 4-O-methyl (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxazinane-3,4-dicarboxylate.

Molecular Properties

Compound Name3-O-tert-butyl 4-O-methyl (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxazinane-3,4-dicarboxylate
PubChem CID101403172
Molecular FormulaC28H39NO6Si
Molecular Weight513.71 g/mol
Exact Mass513.25
IUPAC Name3-O-tert-butyl 4-O-methyl (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxazinane-3,4-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCN1C(=O)OC(C)(C)C
InChIInChI=1S/C28H39NO6Si/c1-27(2,3)35-26(31)29-20-33-21(18-24(29)25(30)32-7)19-34-36(28(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21,24H,18-20H2,1-7H3/t21-,24+/m1/s1
InChIKeyMYZVBODTGZSMQY-QPPBQGQZSA-N
XLogP4.09
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.71
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-O-tert-butyl 4-O-methyl (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxazinane-3,4-dicarboxylate?
The IUPAC name of 3-O-tert-butyl 4-O-methyl (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxazinane-3,4-dicarboxylate (CID 101403172) is 3-O-tert-butyl 4-O-methyl (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxazinane-3,4-dicarboxylate.
What is the SMILES notation for 3-O-tert-butyl 4-O-methyl (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxazinane-3,4-dicarboxylate?
The canonical SMILES for 3-O-tert-butyl 4-O-methyl (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxazinane-3,4-dicarboxylate is COC(=O)[C@@H]1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCN1C(=O)OC(C)(C)C.
What is the InChIKey of 3-O-tert-butyl 4-O-methyl (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxazinane-3,4-dicarboxylate?
The InChIKey is MYZVBODTGZSMQY-QPPBQGQZSA-N. The full InChI is InChI=1S/C28H39NO6Si/c1-27(2,3)35-26(31)29-20-33-21(18-24(29)25(30)32-7)19-34-36(28(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21,24H,18-20H2,1-7H3/t21-,24+/m1/s1.
What are the key properties of 3-O-tert-butyl 4-O-methyl (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxazinane-3,4-dicarboxylate?
3-O-tert-butyl 4-O-methyl (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxazinane-3,4-dicarboxylate has a molecular weight of 513.71 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-tert-butyl 4-O-methyl (4S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxazinane-3,4-dicarboxylate is sourced from PubChem (CID 101403172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).