(4S)-3-[(2S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one

C17H31NO6 — CID 11290918

IUPAC(4S)-3-[(2S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)C[C@H]1COC(=O)N1[C@@H]1C[C@H](OC(C)(C)C)[C@@H](O)[C@H](CO)O1
InChIInChI=1S/C17H31NO6/c1-10(2)6-11-9-22-16(21)18(11)14-7-12(24-17(3,4)5)15(20)13(8-19)23-14/h10-15,19-20H,6-9H2,1-5H3/t11-,12-,13-,14-,15+/m0/s1
InChIKeyGEOGYLSSZSROBC-YYFQZIEXSA-N
MW345.44 g/mol
LogP1.51
Rot. Bonds5

About (4S)-3-[(2S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one

(4S)-3-[(2S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 11290918) has the molecular formula C17H31NO6 and a molecular weight of 345.44 g/mol. Its IUPAC name is (4S)-3-[(2S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID11290918
Molecular FormulaC17H31NO6
Molecular Weight345.44 g/mol
Exact Mass345.22
IUPAC Name(4S)-3-[(2S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)C[C@H]1COC(=O)N1[C@@H]1C[C@H](OC(C)(C)C)[C@@H](O)[C@H](CO)O1
InChIInChI=1S/C17H31NO6/c1-10(2)6-11-9-22-16(21)18(11)14-7-12(24-17(3,4)5)15(20)13(8-19)23-14/h10-15,19-20H,6-9H2,1-5H3/t11-,12-,13-,14-,15+/m0/s1
InChIKeyGEOGYLSSZSROBC-YYFQZIEXSA-N
XLogP1.51
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4S)-3-[(2S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-3-[(2R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 11303051
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol
CID 11160276
(4R)-1-[4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-4-(2-methylpropyl)pyrrolidin-2-one
CID 58618515
(2R,3R,4R,6S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]-4-sulfanyloxan-3-ol
CID 70675474
(4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 139669339
6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol
CID 166832148
4-(hydroxymethyl)-3-(oxolan-2-yl)-1,3-oxazolidin-2-one
CID 115102416
4-(2-methylpropyl)-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3708594
5-ethyl-6,7-dihydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 130151846
4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 4686292
N-(1-adamantyl)-4-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbothioamide
CID 74228286
[3,6-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxymethyl 2,2-dimethylpropanoate
CID 166480184

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one (CID 11290918) is (4S)-3-[(2S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one is CC(C)C[C@H]1COC(=O)N1[C@@H]1C[C@H](OC(C)(C)C)[C@@H](O)[C@H](CO)O1.
What is the InChIKey of (4S)-3-[(2S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is GEOGYLSSZSROBC-YYFQZIEXSA-N. The full InChI is InChI=1S/C17H31NO6/c1-10(2)6-11-9-22-16(21)18(11)14-7-12(24-17(3,4)5)15(20)13(8-19)23-14/h10-15,19-20H,6-9H2,1-5H3/t11-,12-,13-,14-,15+/m0/s1.
What are the key properties of (4S)-3-[(2S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
(4S)-3-[(2S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 345.44 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11290918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).