tert-butyl (4S,5R)-5-hydroxy-5-[(4R,5R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]-4-propan-2-yl-1,3-oxazolidine-3-carboxylate

C22H40N2O8 — CID 146033749

IUPACtert-butyl (4S,5R)-5-hydroxy-5-[(4R,5R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)[C@@H]1N(C(=O)OC(C)(C)C)CO[C@@]1(O)[C@]1(O)OCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C
InChIInChI=1S/C22H40N2O8/c1-13(2)15-21(27,29-11-23(15)17(25)31-19(5,6)7)22(28)16(14(3)4)24(12-30-22)18(26)32-20(8,9)10/h13-16,27-28H,11-12H2,1-10H3/t15-,16+,21-,22-/m1/s1
InChIKeyRIRYULVPDMAKCU-FHTPNYMGSA-N
MW460.57 g/mol
LogP2.86
Rot. Bonds3

About tert-butyl (4S,5R)-5-hydroxy-5-[(4R,5R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]-4-propan-2-yl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5R)-5-hydroxy-5-[(4R,5R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]-4-propan-2-yl-1,3-oxazolidine-3-carboxylate (PubChem CID 146033749) has the molecular formula C22H40N2O8 and a molecular weight of 460.57 g/mol. Its IUPAC name is tert-butyl (4S,5R)-5-hydroxy-5-[(4R,5R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]-4-propan-2-yl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5R)-5-hydroxy-5-[(4R,5R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
PubChem CID146033749
Molecular FormulaC22H40N2O8
Molecular Weight460.57 g/mol
Exact Mass460.28
IUPAC Nametert-butyl (4S,5R)-5-hydroxy-5-[(4R,5R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)[C@@H]1N(C(=O)OC(C)(C)C)CO[C@@]1(O)[C@]1(O)OCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C
InChIInChI=1S/C22H40N2O8/c1-13(2)15-21(27,29-11-23(15)17(25)31-19(5,6)7)22(28)16(14(3)4)24(12-30-22)18(26)32-20(8,9)10/h13-16,27-28H,11-12H2,1-10H3/t15-,16+,21-,22-/m1/s1
InChIKeyRIRYULVPDMAKCU-FHTPNYMGSA-N
XLogP2.86
TPSA118.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl (4S,5R)-5-hydroxy-5-[(4R,5R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]-4-propan-2-yl-1,3-oxazolidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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CID 57272660
tert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate
CID 102085083
tert-butyl (2S)-2-acetylaziridine-1-carboxylate
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tert-butyl (2S)-3-oxo-2-propan-2-ylpyrrolidine-1-carboxylate
CID 96602470
tert-butyl 3-oxo-2-propan-2-ylpyrrolidine-1-carboxylate
CID 130003184
tert-butyl 3-acetyl-2-methylazetidine-1-carboxylate
CID 122590400
(2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid
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tert-butyl (5S)-5-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate
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tert-butyl oxaziridine-2-carboxylate
CID 87264596
(2R,4S)-4-hydroxy-4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5R)-5-hydroxy-5-[(4R,5R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S,5R)-5-hydroxy-5-[(4R,5R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]-4-propan-2-yl-1,3-oxazolidine-3-carboxylate (CID 146033749) is tert-butyl (4S,5R)-5-hydroxy-5-[(4R,5R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]-4-propan-2-yl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S,5R)-5-hydroxy-5-[(4R,5R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S,5R)-5-hydroxy-5-[(4R,5R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]-4-propan-2-yl-1,3-oxazolidine-3-carboxylate is CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CO[C@@]1(O)[C@]1(O)OCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C.
What is the InChIKey of tert-butyl (4S,5R)-5-hydroxy-5-[(4R,5R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The InChIKey is RIRYULVPDMAKCU-FHTPNYMGSA-N. The full InChI is InChI=1S/C22H40N2O8/c1-13(2)15-21(27,29-11-23(15)17(25)31-19(5,6)7)22(28)16(14(3)4)24(12-30-22)18(26)32-20(8,9)10/h13-16,27-28H,11-12H2,1-10H3/t15-,16+,21-,22-/m1/s1.
What are the key properties of tert-butyl (4S,5R)-5-hydroxy-5-[(4R,5R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S,5R)-5-hydroxy-5-[(4R,5R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]-4-propan-2-yl-1,3-oxazolidine-3-carboxylate has a molecular weight of 460.57 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5R)-5-hydroxy-5-[(4R,5R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]-4-propan-2-yl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 146033749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).