(4S)-3-[(2S,4S,5R,6S)-3,5-dihydroxy-2,4,6-trimethylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C18H33NO5 — CID 11024356

IUPAC(4S)-3-[(2S,4S,5R,6S)-3,5-dihydroxy-2,4,6-trimethylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCC[C@H](C)[C@@H](O)[C@H](C)C(O)[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C18H33NO5/c1-7-8-11(4)15(20)12(5)16(21)13(6)17(22)19-14(10(2)3)9-24-18(19)23/h10-16,20-21H,7-9H2,1-6H3/t11-,12-,13-,14+,15+,16?/m0/s1
InChIKeyQKUKWTUUCHVSTK-GKUIOWCZSA-N
MW343.46 g/mol
LogP2.42
Rot. Bonds8

About (4S)-3-[(2S,4S,5R,6S)-3,5-dihydroxy-2,4,6-trimethylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(2S,4S,5R,6S)-3,5-dihydroxy-2,4,6-trimethylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11024356) has the molecular formula C18H33NO5 and a molecular weight of 343.46 g/mol. Its IUPAC name is (4S)-3-[(2S,4S,5R,6S)-3,5-dihydroxy-2,4,6-trimethylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S,4S,5R,6S)-3,5-dihydroxy-2,4,6-trimethylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11024356
Molecular FormulaC18H33NO5
Molecular Weight343.46 g/mol
Exact Mass343.24
IUPAC Name(4S)-3-[(2S,4S,5R,6S)-3,5-dihydroxy-2,4,6-trimethylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCC[C@H](C)[C@@H](O)[C@H](C)C(O)[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C18H33NO5/c1-7-8-11(4)15(20)12(5)16(21)13(6)17(22)19-14(10(2)3)9-24-18(19)23/h10-16,20-21H,7-9H2,1-6H3/t11-,12-,13-,14+,15+,16?/m0/s1
InChIKeyQKUKWTUUCHVSTK-GKUIOWCZSA-N
XLogP2.42
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S)-3-[(2S,4S,5R,6S)-3,5-dihydroxy-2,4,6-trimethylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S,4S,5R,6S)-3,5-dihydroxy-2,4,6-trimethylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S,4S,5R,6S)-3,5-dihydroxy-2,4,6-trimethylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11024356) is (4S)-3-[(2S,4S,5R,6S)-3,5-dihydroxy-2,4,6-trimethylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S,4S,5R,6S)-3,5-dihydroxy-2,4,6-trimethylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S,4S,5R,6S)-3,5-dihydroxy-2,4,6-trimethylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CCC[C@H](C)[C@@H](O)[C@H](C)C(O)[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(2S,4S,5R,6S)-3,5-dihydroxy-2,4,6-trimethylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is QKUKWTUUCHVSTK-GKUIOWCZSA-N. The full InChI is InChI=1S/C18H33NO5/c1-7-8-11(4)15(20)12(5)16(21)13(6)17(22)19-14(10(2)3)9-24-18(19)23/h10-16,20-21H,7-9H2,1-6H3/t11-,12-,13-,14+,15+,16?/m0/s1.
What are the key properties of (4S)-3-[(2S,4S,5R,6S)-3,5-dihydroxy-2,4,6-trimethylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2S,4S,5R,6S)-3,5-dihydroxy-2,4,6-trimethylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 343.46 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S,4S,5R,6S)-3,5-dihydroxy-2,4,6-trimethylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11024356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).