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

C30H45NO7 — CID 102173309

IUPAC(4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCC[C@H](O)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
InChIInChI=1S/C30H45NO7/c1-5-9-22(32)16-23-12-13-25(37-23)18(2)28(33)19(3)26-14-15-27(38-26)20(4)29(34)31-24(17-36-30(31)35)21-10-7-6-8-11-21/h6-8,10-11,18-20,22-28,32-33H,5,9,12-17H2,1-4H3/t18-,19-,20-,22+,23+,24+,25-,26+,27-,28+/m1/s1
InChIKeyFONPWOVSQXKHNX-NICSXMKTSA-N
MW531.69 g/mol
LogP4.62
Rot. Bonds11

About (4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-hydroxypentyl]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-hydroxypentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 102173309) has the molecular formula C30H45NO7 and a molecular weight of 531.69 g/mol. Its IUPAC name is (4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-hydroxypentyl]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-hydroxypentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID102173309
Molecular FormulaC30H45NO7
Molecular Weight531.69 g/mol
Exact Mass531.32
IUPAC Name(4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCC[C@H](O)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
InChIInChI=1S/C30H45NO7/c1-5-9-22(32)16-23-12-13-25(37-23)18(2)28(33)19(3)26-14-15-27(38-26)20(4)29(34)31-24(17-36-30(31)35)21-10-7-6-8-11-21/h6-8,10-11,18-20,22-28,32-33H,5,9,12-17H2,1-4H3/t18-,19-,20-,22+,23+,24+,25-,26+,27-,28+/m1/s1
InChIKeyFONPWOVSQXKHNX-NICSXMKTSA-N
XLogP4.62
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.69
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

(4S)-3-[(2S,3S)-4-benzyl-3-hydroxy-2-methylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846980
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49846983
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49847056
(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
(4R)-4-benzyl-3-[(2R,3S,4R,6E,8E)-3-hydroxy-2,4-dimethyldeca-6,8-dienoyl]-1,3-oxazolidin-2-one
CID 89857080
S-4-benzyl-3-((S)-3-hydroxy-2,2-dimethyloctanoyl)oxazolidin-2-one
CID 124079542
R-4-benzyl-3-((R)-3-hydroxy-2,2-dimethyloctanoyl)oxazolidin-2-one
CID 124079543
2-[(4S,5R)-3-(1-fluorobutoxycarbonyl)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-5-yl]acetic acid
CID 69571158
(R)-3-((S)-4-(2,4-difluoro phenyl)-2-(hydroxymethyl)pent-4-enoyl)-4-phenyloxazolidin-2-one
CID 89463443

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-hydroxypentyl]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-hydroxypentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 102173309) is (4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-hydroxypentyl]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-hydroxypentyl]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-hydroxypentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one is CCC[C@H](O)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.
What is the InChIKey of (4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is FONPWOVSQXKHNX-NICSXMKTSA-N. The full InChI is InChI=1S/C30H45NO7/c1-5-9-22(32)16-23-12-13-25(37-23)18(2)28(33)19(3)26-14-15-27(38-26)20(4)29(34)31-24(17-36-30(31)35)21-10-7-6-8-11-21/h6-8,10-11,18-20,22-28,32-33H,5,9,12-17H2,1-4H3/t18-,19-,20-,22+,23+,24+,25-,26+,27-,28+/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-hydroxypentyl]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-hydroxypentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 531.69 g/mol, XLogP of 4.62, 11 rotatable bonds, 2 hydrogen bond donors, and 7 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-hydroxypentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102173309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).