(4R)-4-benzyl-3-[(2R)-2-[[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]pent-4-enoyl]-1,3-oxazolidin-2-one

C50H53NO8 — CID 10876511

IUPAC(4R)-4-benzyl-3-[(2R)-2-[[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CCC(C[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C50H53NO8/c1-2-18-42(49(52)51-43(35-58-50(51)53)29-37-19-8-3-9-20-37)30-44-46(55-32-39-23-12-5-13-24-39)48(57-34-41-27-16-7-17-28-41)47(56-33-40-25-14-6-15-26-40)45(59-44)36-54-31-38-21-10-4-11-22-38/h2-17,19-28,42-48H,1,18,29-36H2/t42?,43-,44+,45-,46+,47+,48-/m1/s1
InChIKeyVWOHPECAGKMMHA-GBUXZTCFSA-N
MW795.97 g/mol
LogP8.90
Rot. Bonds20

About (4R)-4-benzyl-3-[(2R)-2-[[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]pent-4-enoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R)-2-[[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]pent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 10876511) has the molecular formula C50H53NO8 and a molecular weight of 795.97 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R)-2-[[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]pent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R)-2-[[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID10876511
Molecular FormulaC50H53NO8
Molecular Weight795.97 g/mol
Exact Mass795.38
IUPAC Name(4R)-4-benzyl-3-[(2R)-2-[[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CCC(C[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C50H53NO8/c1-2-18-42(49(52)51-43(35-58-50(51)53)29-37-19-8-3-9-20-37)30-44-46(55-32-39-23-12-5-13-24-39)48(57-34-41-27-16-7-17-28-41)47(56-33-40-25-14-6-15-26-40)45(59-44)36-54-31-38-21-10-4-11-22-38/h2-17,19-28,42-48H,1,18,29-36H2/t42?,43-,44+,45-,46+,47+,48-/m1/s1
InChIKeyVWOHPECAGKMMHA-GBUXZTCFSA-N
XLogP8.90
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.97
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R)-4-benzyl-3-[(2R)-2-[[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]pent-4-enoyl]-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)-2-[[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R)-2-[[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]pent-4-enoyl]-1,3-oxazolidin-2-one (CID 10876511) is (4R)-4-benzyl-3-[(2R)-2-[[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]pent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R)-2-[[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R)-2-[[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]pent-4-enoyl]-1,3-oxazolidin-2-one is C=CCC(C[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R)-2-[[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is VWOHPECAGKMMHA-GBUXZTCFSA-N. The full InChI is InChI=1S/C50H53NO8/c1-2-18-42(49(52)51-43(35-58-50(51)53)29-37-19-8-3-9-20-37)30-44-46(55-32-39-23-12-5-13-24-39)48(57-34-41-27-16-7-17-28-41)47(56-33-40-25-14-6-15-26-40)45(59-44)36-54-31-38-21-10-4-11-22-38/h2-17,19-28,42-48H,1,18,29-36H2/t42?,43-,44+,45-,46+,47+,48-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R)-2-[[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R)-2-[[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]pent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 795.97 g/mol, XLogP of 8.90, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R)-2-[[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]pent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10876511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).