(4R)-4-benzyl-3-[(2R,3R,4R)-3-hydroxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methylpentanoyl]-1,3-oxazolidin-2-one

C28H35NO7 — CID 11713016

IUPAC(4R)-4-benzyl-3-[(2R,3R,4R)-3-hydroxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methylpentanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@@H]2OC[C@@H](C)[C@H]([C@H](C)[C@@H](O)[C@@H](C)C(=O)N3C(=O)OC[C@H]3Cc3ccccc3)O2)cc1
InChIInChI=1S/C28H35NO7/c1-17-15-34-27(21-10-12-23(33-4)13-11-21)36-25(17)18(2)24(30)19(3)26(31)29-22(16-35-28(29)32)14-20-8-6-5-7-9-20/h5-13,17-19,22,24-25,27,30H,14-16H2,1-4H3/t17-,18-,19-,22-,24-,25-,27-/m1/s1
InChIKeySPVRMGWYFPAWJR-JMSZPBMSSA-N
MW497.59 g/mol
LogP3.97
Rot. Bonds8

About (4R)-4-benzyl-3-[(2R,3R,4R)-3-hydroxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methylpentanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,3R,4R)-3-hydroxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methylpentanoyl]-1,3-oxazolidin-2-one (PubChem CID 11713016) has the molecular formula C28H35NO7 and a molecular weight of 497.59 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3R,4R)-3-hydroxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methylpentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,3R,4R)-3-hydroxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methylpentanoyl]-1,3-oxazolidin-2-one
PubChem CID11713016
Molecular FormulaC28H35NO7
Molecular Weight497.59 g/mol
Exact Mass497.24
IUPAC Name(4R)-4-benzyl-3-[(2R,3R,4R)-3-hydroxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methylpentanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@@H]2OC[C@@H](C)[C@H]([C@H](C)[C@@H](O)[C@@H](C)C(=O)N3C(=O)OC[C@H]3Cc3ccccc3)O2)cc1
InChIInChI=1S/C28H35NO7/c1-17-15-34-27(21-10-12-23(33-4)13-11-21)36-25(17)18(2)24(30)19(3)26(31)29-22(16-35-28(29)32)14-20-8-6-5-7-9-20/h5-13,17-19,22,24-25,27,30H,14-16H2,1-4H3/t17-,18-,19-,22-,24-,25-,27-/m1/s1
InChIKeySPVRMGWYFPAWJR-JMSZPBMSSA-N
XLogP3.97
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-4-benzyl-3-[(2R,3R,4R)-3-hydroxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methylpentanoyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3R,4R)-3-hydroxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methylpentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,3R,4R)-3-hydroxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methylpentanoyl]-1,3-oxazolidin-2-one (CID 11713016) is (4R)-4-benzyl-3-[(2R,3R,4R)-3-hydroxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methylpentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3R,4R)-3-hydroxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methylpentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,3R,4R)-3-hydroxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methylpentanoyl]-1,3-oxazolidin-2-one is COc1ccc([C@@H]2OC[C@@H](C)[C@H]([C@H](C)[C@@H](O)[C@@H](C)C(=O)N3C(=O)OC[C@H]3Cc3ccccc3)O2)cc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R,3R,4R)-3-hydroxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methylpentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is SPVRMGWYFPAWJR-JMSZPBMSSA-N. The full InChI is InChI=1S/C28H35NO7/c1-17-15-34-27(21-10-12-23(33-4)13-11-21)36-25(17)18(2)24(30)19(3)26(31)29-22(16-35-28(29)32)14-20-8-6-5-7-9-20/h5-13,17-19,22,24-25,27,30H,14-16H2,1-4H3/t17-,18-,19-,22-,24-,25-,27-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,3R,4R)-3-hydroxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methylpentanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,3R,4R)-3-hydroxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methylpentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 497.59 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R,3R,4R)-3-hydroxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methylpentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11713016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).