(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethyl-3-[(4R,5S)-5-methyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

C23H31NO8 — CID 71725816

IUPAC(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethyl-3-[(4R,5S)-5-methyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCOCO[C@H]([C@H]1OC(C)(C)O[C@H]1C=O)C(C)(C)C(=O)N1C(=O)O[C@@H](C)[C@H]1c1ccccc1
InChIInChI=1S/C23H31NO8/c1-14-17(15-10-8-7-9-11-15)24(21(27)30-14)20(26)22(2,3)19(29-13-28-6)18-16(12-25)31-23(4,5)32-18/h7-12,14,16-19H,13H2,1-6H3/t14-,16-,17-,18-,19+/m0/s1
InChIKeyAJUZJLXADPFKBT-XFUTXVRSSA-N
MW449.50 g/mol
LogP2.83
Rot. Bonds8

About (4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethyl-3-[(4R,5S)-5-methyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethyl-3-[(4R,5S)-5-methyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 71725816) has the molecular formula C23H31NO8 and a molecular weight of 449.50 g/mol. Its IUPAC name is (4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethyl-3-[(4R,5S)-5-methyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethyl-3-[(4R,5S)-5-methyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID71725816
Molecular FormulaC23H31NO8
Molecular Weight449.50 g/mol
Exact Mass449.20
IUPAC Name(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethyl-3-[(4R,5S)-5-methyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCOCO[C@H]([C@H]1OC(C)(C)O[C@H]1C=O)C(C)(C)C(=O)N1C(=O)O[C@@H](C)[C@H]1c1ccccc1
InChIInChI=1S/C23H31NO8/c1-14-17(15-10-8-7-9-11-15)24(21(27)30-14)20(26)22(2,3)19(29-13-28-6)18-16(12-25)31-23(4,5)32-18/h7-12,14,16-19H,13H2,1-6H3/t14-,16-,17-,18-,19+/m0/s1
InChIKeyAJUZJLXADPFKBT-XFUTXVRSSA-N
XLogP2.83
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethyl-3-[(4R,5S)-5-methyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethyl-3-[(4R,5S)-5-methyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethyl-3-[(4R,5S)-5-methyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (CID 71725816) is (4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethyl-3-[(4R,5S)-5-methyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethyl-3-[(4R,5S)-5-methyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethyl-3-[(4R,5S)-5-methyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is COCO[C@H]([C@H]1OC(C)(C)O[C@H]1C=O)C(C)(C)C(=O)N1C(=O)O[C@@H](C)[C@H]1c1ccccc1.
What is the InChIKey of (4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethyl-3-[(4R,5S)-5-methyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is AJUZJLXADPFKBT-XFUTXVRSSA-N. The full InChI is InChI=1S/C23H31NO8/c1-14-17(15-10-8-7-9-11-15)24(21(27)30-14)20(26)22(2,3)19(29-13-28-6)18-16(12-25)31-23(4,5)32-18/h7-12,14,16-19H,13H2,1-6H3/t14-,16-,17-,18-,19+/m0/s1.
What are the key properties of (4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethyl-3-[(4R,5S)-5-methyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethyl-3-[(4R,5S)-5-methyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 449.50 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethyl-3-[(4R,5S)-5-methyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 71725816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).