[(5R)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate

C29H39NO7Si — CID 101046336

IUPAC[(5R)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate
SMILESCC(=O)O[C@H]1CCN([C@@H]2OC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]3OC(C)(C)O[C@H]32)O1
InChIInChI=1S/C29H39NO7Si/c1-20(31)33-24-17-18-30(37-24)27-26-25(35-29(5,6)36-26)23(34-27)19-32-38(28(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,23-27H,17-19H2,1-6H3/t23?,24-,25-,26-,27-/m1/s1
InChIKeyKUPMVOBWKZSJAV-MCCDUPBDSA-N
MW541.72 g/mol
LogP3.33
Rot. Bonds7

About [(5R)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate

[(5R)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate (PubChem CID 101046336) has the molecular formula C29H39NO7Si and a molecular weight of 541.72 g/mol. Its IUPAC name is [(5R)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate.

Molecular Properties

Compound Name[(5R)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate
PubChem CID101046336
Molecular FormulaC29H39NO7Si
Molecular Weight541.72 g/mol
Exact Mass541.25
IUPAC Name[(5R)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate
SMILESCC(=O)O[C@H]1CCN([C@@H]2OC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]3OC(C)(C)O[C@H]32)O1
InChIInChI=1S/C29H39NO7Si/c1-20(31)33-24-17-18-30(37-24)27-26-25(35-29(5,6)36-26)23(34-27)19-32-38(28(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,23-27H,17-19H2,1-6H3/t23?,24-,25-,26-,27-/m1/s1
InChIKeyKUPMVOBWKZSJAV-MCCDUPBDSA-N
XLogP3.33
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.72
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(5R)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate with MolForge

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Related Compounds

[(5S)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate
CID 101046337
[(3aS,4R,6R,7R,7aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-sulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] acetate
CID 12000417
[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]methyl acetate
CID 123880109
(3aR,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 73056658
(4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carboxylic acid
CID 122173438
[(2S,3R,5R)-4-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 58592657
(3aS,4R,7S,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 101470803
[(4S,5R)-5-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 101230365
(3aS,6S,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 58679030
(3aS,7S,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 91310522
[(3aR,6R,6aR)-2,2,4,4-tetramethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
CID 135012265
3-[(3aS,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-hydroxy-2H-furan-5-one
CID 11733954

Frequently Asked Questions

What is the IUPAC name of [(5R)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate?
The IUPAC name of [(5R)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate (CID 101046336) is [(5R)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate.
What is the SMILES notation for [(5R)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate?
The canonical SMILES for [(5R)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate is CC(=O)O[C@H]1CCN([C@@H]2OC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]3OC(C)(C)O[C@H]32)O1.
What is the InChIKey of [(5R)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate?
The InChIKey is KUPMVOBWKZSJAV-MCCDUPBDSA-N. The full InChI is InChI=1S/C29H39NO7Si/c1-20(31)33-24-17-18-30(37-24)27-26-25(35-29(5,6)36-26)23(34-27)19-32-38(28(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,23-27H,17-19H2,1-6H3/t23?,24-,25-,26-,27-/m1/s1.
What are the key properties of [(5R)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate?
[(5R)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate has a molecular weight of 541.72 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate is sourced from PubChem (CID 101046336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).