N-[(2S,3R,4S,5S,6S)-2-[(2,4-dichlorophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C15H19Cl2NO6 — CID 11903208

IUPACN-[(2S,3R,4S,5S,6S)-2-[(2,4-dichlorophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@@H](OCc2ccc(Cl)cc2Cl)O[C@@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H19Cl2NO6/c1-7(20)18-12-14(22)13(21)11(5-19)24-15(12)23-6-8-2-3-9(16)4-10(8)17/h2-4,11-15,19,21-22H,5-6H2,1H3,(H,18,20)/t11-,12+,13+,14-,15-/m0/s1
InChIKeyCIHDSPCYFDFWRF-QRTUWBSPSA-N
MW380.22 g/mol
LogP0.45
Rot. Bonds5

About N-[(2S,3R,4S,5S,6S)-2-[(2,4-dichlorophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(2S,3R,4S,5S,6S)-2-[(2,4-dichlorophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 11903208) has the molecular formula C15H19Cl2NO6 and a molecular weight of 380.22 g/mol. Its IUPAC name is N-[(2S,3R,4S,5S,6S)-2-[(2,4-dichlorophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4S,5S,6S)-2-[(2,4-dichlorophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID11903208
Molecular FormulaC15H19Cl2NO6
Molecular Weight380.22 g/mol
Exact Mass379.06
IUPAC NameN-[(2S,3R,4S,5S,6S)-2-[(2,4-dichlorophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@@H](OCc2ccc(Cl)cc2Cl)O[C@@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H19Cl2NO6/c1-7(20)18-12-14(22)13(21)11(5-19)24-15(12)23-6-8-2-3-9(16)4-10(8)17/h2-4,11-15,19,21-22H,5-6H2,1H3,(H,18,20)/t11-,12+,13+,14-,15-/m0/s1
InChIKeyCIHDSPCYFDFWRF-QRTUWBSPSA-N
XLogP0.45
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S,3R,4R,5S,6S)-2-[(2,4-dichlorophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11903210
N-[(4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 172641817
N-[(2R,3R,4S,5S,6S)-2-(4-chlorophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11907266
N-[(2S,3R,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 11870400
N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 7573789
N-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxy]oxan-3-yl]acetamide
CID 124759442
N-[2-[(3-bromophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 5033885
N-[(2R,3R,4R,5S,6R)-2-[(3,4-dimethoxyphenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 24748007
N-[(2S,3S,4R,5S,6R)-2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 68989394
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[5-nitro-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]oxan-3-yl]acetamide
CID 11295551
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[2-nitro-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]oxan-3-yl]acetamide
CID 102302209
N-[(2R,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-methylbutoxy)oxan-3-yl]acetamide
CID 7154571

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4S,5S,6S)-2-[(2,4-dichlorophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4S,5S,6S)-2-[(2,4-dichlorophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 11903208) is N-[(2S,3R,4S,5S,6S)-2-[(2,4-dichlorophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4S,5S,6S)-2-[(2,4-dichlorophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4S,5S,6S)-2-[(2,4-dichlorophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@H]1[C@@H](OCc2ccc(Cl)cc2Cl)O[C@@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of N-[(2S,3R,4S,5S,6S)-2-[(2,4-dichlorophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is CIHDSPCYFDFWRF-QRTUWBSPSA-N. The full InChI is InChI=1S/C15H19Cl2NO6/c1-7(20)18-12-14(22)13(21)11(5-19)24-15(12)23-6-8-2-3-9(16)4-10(8)17/h2-4,11-15,19,21-22H,5-6H2,1H3,(H,18,20)/t11-,12+,13+,14-,15-/m0/s1.
What are the key properties of N-[(2S,3R,4S,5S,6S)-2-[(2,4-dichlorophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[(2S,3R,4S,5S,6S)-2-[(2,4-dichlorophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 380.22 g/mol, XLogP of 0.45, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4S,5S,6S)-2-[(2,4-dichlorophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 11903208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).