tert-butyl (4R,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate

C15H23NO8 — CID 101125093

IUPACtert-butyl (4R,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCO[C@@H]1O[C@H]([C@H]2OC(=O)N(C)[C@H]2C(=O)OC(C)(C)C)[C@H]2OCO[C@@H]12
InChIInChI=1S/C15H23NO8/c1-15(2,3)24-12(17)7-8(23-14(18)16(7)4)10-9-11(21-6-20-9)13(19-5)22-10/h7-11,13H,6H2,1-5H3/t7-,8+,9-,10-,11-,13-/m1/s1
InChIKeyFUUDLQRLBIJULT-CYBLFPARSA-N
MW345.35 g/mol
LogP0.26
Rot. Bonds3

About tert-butyl (4R,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate

tert-butyl (4R,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 101125093) has the molecular formula C15H23NO8 and a molecular weight of 345.35 g/mol. Its IUPAC name is tert-butyl (4R,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID101125093
Molecular FormulaC15H23NO8
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC Nametert-butyl (4R,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCO[C@@H]1O[C@H]([C@H]2OC(=O)N(C)[C@H]2C(=O)OC(C)(C)C)[C@H]2OCO[C@@H]12
InChIInChI=1S/C15H23NO8/c1-15(2,3)24-12(17)7-8(23-14(18)16(7)4)10-9-11(21-6-20-9)13(19-5)22-10/h7-11,13H,6H2,1-5H3/t7-,8+,9-,10-,11-,13-/m1/s1
InChIKeyFUUDLQRLBIJULT-CYBLFPARSA-N
XLogP0.26
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl (4R,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of tert-butyl (4R,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate (CID 101125093) is tert-butyl (4R,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for tert-butyl (4R,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for tert-butyl (4R,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate is CO[C@@H]1O[C@H]([C@H]2OC(=O)N(C)[C@H]2C(=O)OC(C)(C)C)[C@H]2OCO[C@@H]12.
What is the InChIKey of tert-butyl (4R,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is FUUDLQRLBIJULT-CYBLFPARSA-N. The full InChI is InChI=1S/C15H23NO8/c1-15(2,3)24-12(17)7-8(23-14(18)16(7)4)10-9-11(21-6-20-9)13(19-5)22-10/h7-11,13H,6H2,1-5H3/t7-,8+,9-,10-,11-,13-/m1/s1.
What are the key properties of tert-butyl (4R,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
tert-butyl (4R,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 345.35 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 101125093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).