[(R)-[(4R,5S)-3-acetyl-2-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidin-5-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate

C21H27NO8 — CID 10598264

IUPAC[(R)-[(4R,5S)-3-acetyl-2-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidin-5-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate
SMILESCC(=O)O[C@H]([C@H]1OC(=O)N(C(C)=O)[C@@H]1COCc1ccccc1)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C21H27NO8/c1-13(23)22-16(11-26-10-15-8-6-5-7-9-15)18(29-20(22)25)19(28-14(2)24)17-12-27-21(3,4)30-17/h5-9,16-19H,10-12H2,1-4H3/t16-,17+,18+,19+/m1/s1
InChIKeyIHABRTRYJLXDOY-XWSJACJDSA-N
MW421.45 g/mol
LogP2.02
Rot. Bonds7

About [(R)-[(4R,5S)-3-acetyl-2-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidin-5-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate

[(R)-[(4R,5S)-3-acetyl-2-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidin-5-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate (PubChem CID 10598264) has the molecular formula C21H27NO8 and a molecular weight of 421.45 g/mol. Its IUPAC name is [(R)-[(4R,5S)-3-acetyl-2-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidin-5-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate.

Molecular Properties

Compound Name[(R)-[(4R,5S)-3-acetyl-2-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidin-5-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate
PubChem CID10598264
Molecular FormulaC21H27NO8
Molecular Weight421.45 g/mol
Exact Mass421.17
IUPAC Name[(R)-[(4R,5S)-3-acetyl-2-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidin-5-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate
SMILESCC(=O)O[C@H]([C@H]1OC(=O)N(C(C)=O)[C@@H]1COCc1ccccc1)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C21H27NO8/c1-13(23)22-16(11-26-10-15-8-6-5-7-9-15)18(29-20(22)25)19(28-14(2)24)17-12-27-21(3,4)30-17/h5-9,16-19H,10-12H2,1-4H3/t16-,17+,18+,19+/m1/s1
InChIKeyIHABRTRYJLXDOY-XWSJACJDSA-N
XLogP2.02
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(R)-[(4R,5S)-3-acetyl-2-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidin-5-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate with MolForge

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Related Compounds

(3R,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-3-phenylmethoxyoxolan-2-one
CID 11508056
[(R)-[(3aR,6R,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate
CID 100983038
(3S,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butan-2-one
CID 11061583
2-[(4S,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 24814903
(4S)-4-[(1R)-1-fluoro-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolane
CID 140879278
[(R)-[(3aR,6R,6aR)-4-(dichloromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate
CID 10340735
(4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane
CID 71534406
(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde
CID 10729339
benzyl N-[(1S)-2-amino-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxoethyl]carbamate
CID 13388547
1-[(2R,3S)-5-hydroxy-3-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanone
CID 11121805
(2R,3S,4S,5S,6S)-6-[(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol
CID 101159802
(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[5-(phenylmethoxymethyl)furan-2-yl]methanol
CID 15098486

Frequently Asked Questions

What is the IUPAC name of [(R)-[(4R,5S)-3-acetyl-2-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidin-5-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate?
The IUPAC name of [(R)-[(4R,5S)-3-acetyl-2-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidin-5-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate (CID 10598264) is [(R)-[(4R,5S)-3-acetyl-2-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidin-5-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate.
What is the SMILES notation for [(R)-[(4R,5S)-3-acetyl-2-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidin-5-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate?
The canonical SMILES for [(R)-[(4R,5S)-3-acetyl-2-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidin-5-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate is CC(=O)O[C@H]([C@H]1OC(=O)N(C(C)=O)[C@@H]1COCc1ccccc1)[C@@H]1COC(C)(C)O1.
What is the InChIKey of [(R)-[(4R,5S)-3-acetyl-2-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidin-5-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate?
The InChIKey is IHABRTRYJLXDOY-XWSJACJDSA-N. The full InChI is InChI=1S/C21H27NO8/c1-13(23)22-16(11-26-10-15-8-6-5-7-9-15)18(29-20(22)25)19(28-14(2)24)17-12-27-21(3,4)30-17/h5-9,16-19H,10-12H2,1-4H3/t16-,17+,18+,19+/m1/s1.
What are the key properties of [(R)-[(4R,5S)-3-acetyl-2-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidin-5-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate?
[(R)-[(4R,5S)-3-acetyl-2-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidin-5-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate has a molecular weight of 421.45 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-[(4R,5S)-3-acetyl-2-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidin-5-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate is sourced from PubChem (CID 10598264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).