(4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one

C32H49NO8 — CID 44604405

IUPAC(4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCC[C@@H](C[C@@H]1CC[C@H]([C@@H](C)[C@H](O)[C@H](C)[C@@H]2CC[C@H]([C@@H](C)C(=O)N3C(=O)OC[C@H]3c3ccccc3)O2)O1)OCOC
InChIInChI=1S/C32H49NO8/c1-6-10-24(39-19-37-5)17-25-13-14-27(40-25)20(2)30(34)21(3)28-15-16-29(41-28)22(4)31(35)33-26(18-38-32(33)36)23-11-8-7-9-12-23/h7-9,11-12,20-22,24-30,34H,6,10,13-19H2,1-5H3/t20-,21-,22-,24+,25+,26+,27-,28+,29-,30+/m1/s1
InChIKeyUHSUOJBIAHJSMW-XADDZFAWSA-N
MW575.74 g/mol
LogP5.25
Rot. Bonds14

About (4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 44604405) has the molecular formula C32H49NO8 and a molecular weight of 575.74 g/mol. Its IUPAC name is (4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID44604405
Molecular FormulaC32H49NO8
Molecular Weight575.74 g/mol
Exact Mass575.35
IUPAC Name(4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCC[C@@H](C[C@@H]1CC[C@H]([C@@H](C)[C@H](O)[C@H](C)[C@@H]2CC[C@H]([C@@H](C)C(=O)N3C(=O)OC[C@H]3c3ccccc3)O2)O1)OCOC
InChIInChI=1S/C32H49NO8/c1-6-10-24(39-19-37-5)17-25-13-14-27(40-25)20(2)30(34)21(3)28-15-16-29(41-28)22(4)31(35)33-26(18-38-32(33)36)23-11-8-7-9-12-23/h7-9,11-12,20-22,24-30,34H,6,10,13-19H2,1-5H3/t20-,21-,22-,24+,25+,26+,27-,28+,29-,30+/m1/s1
InChIKeyUHSUOJBIAHJSMW-XADDZFAWSA-N
XLogP5.25
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.74
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4r,5s)-3-[(2r)-2-{(2s,2'r,4s,5s,5'r)-2,5'-Diethyl-5'-[(1s)-1-Hydroxyethyl]-4-Methyloctahydro-2,2'-Bifuran-5-Yl}butanoyl]-4-Methyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 56684134
(4S)-4-benzyl-3-[(2R)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 101030321
(4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 101030324
(4S)-4-benzyl-3-[(2R)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 101030325
(4S)-3-[(2S)-2-[(2S,5R)-5-[(2R)-2-hydroxypropyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 11588284
(4S)-3-[(2S,3R)-3-hydroxy-2-methyl-5-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 11625597
(4R)-3-[(2R,3S,6S,7R)-3-hydroxy-7-[(4R,5R,6R)-6-[(3R,5S)-3-hydroxy-5-(methoxymethoxy)octyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-2-methyl-6-phenylmethoxyoctanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 44604331
(4R)-3-[(2S)-2-[(2R,5S)-5-[(2S,3S)-3-hydroxyhexan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 44604407
[(2R,5R,6R,7R,9S,12S,13R,16S,19R,20S)-2,7,9,16-tetrahydroxy-6,13,20-trimethyl-12,19-bis(methylsulfonyloxy)-14,21-dioxo-21-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]henicosan-5-yl] methanesulfonate
CID 59052062
(4S)-3-[(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3R)-2-hydroxy-3-[(2S,5R)-5-methyloxolan-2-yl]butyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 59052188
[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-1-[(2S,5R)-5-[(2R)-3-oxo-4-[(2S,5S)-5-[(2S)-1-oxo-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propan-2-yl]oxolan-2-yl]butan-2-yl]oxolan-2-yl]butan-2-yl] (2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoate
CID 59052190
(4S)-3-[(2S)-2-[(2S)-oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102386102

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 44604405) is (4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one is CCC[C@@H](C[C@@H]1CC[C@H]([C@@H](C)[C@H](O)[C@H](C)[C@@H]2CC[C@H]([C@@H](C)C(=O)N3C(=O)OC[C@H]3c3ccccc3)O2)O1)OCOC.
What is the InChIKey of (4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is UHSUOJBIAHJSMW-XADDZFAWSA-N. The full InChI is InChI=1S/C32H49NO8/c1-6-10-24(39-19-37-5)17-25-13-14-27(40-25)20(2)30(34)21(3)28-15-16-29(41-28)22(4)31(35)33-26(18-38-32(33)36)23-11-8-7-9-12-23/h7-9,11-12,20-22,24-30,34H,6,10,13-19H2,1-5H3/t20-,21-,22-,24+,25+,26+,27-,28+,29-,30+/m1/s1.
What are the key properties of (4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 575.74 g/mol, XLogP of 5.25, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 44604405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).