2-phenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide

C15H21NO6 — CID 72836873

IUPAC2-phenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide
SMILESCOC1O[C@H](CNC(=O)Cc2ccccc2)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C15H21NO6/c1-21-15-14(20)13(19)12(18)10(22-15)8-16-11(17)7-9-5-3-2-4-6-9/h2-6,10,12-15,18-20H,7-8H2,1H3,(H,16,17)/t10-,12-,13?,14+,15?/m1/s1
InChIKeyFFKQOPFXANSYLT-SYANGAHLSA-N
MW311.33 g/mol
LogP-1.20
Rot. Bonds5

About 2-phenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide

2-phenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide (PubChem CID 72836873) has the molecular formula C15H21NO6 and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-phenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide
PubChem CID72836873
Molecular FormulaC15H21NO6
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name2-phenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide
SMILESCOC1O[C@H](CNC(=O)Cc2ccccc2)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C15H21NO6/c1-21-15-14(20)13(19)12(18)10(22-15)8-16-11(17)7-9-5-3-2-4-6-9/h2-6,10,12-15,18-20H,7-8H2,1H3,(H,16,17)/t10-,12-,13?,14+,15?/m1/s1
InChIKeyFFKQOPFXANSYLT-SYANGAHLSA-N
XLogP-1.20
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide?
The IUPAC name of 2-phenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide (CID 72836873) is 2-phenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide?
The canonical SMILES for 2-phenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide is COC1O[C@H](CNC(=O)Cc2ccccc2)[C@@H](O)C(O)[C@@H]1O.
What is the InChIKey of 2-phenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide?
The InChIKey is FFKQOPFXANSYLT-SYANGAHLSA-N. The full InChI is InChI=1S/C15H21NO6/c1-21-15-14(20)13(19)12(18)10(22-15)8-16-11(17)7-9-5-3-2-4-6-9/h2-6,10,12-15,18-20H,7-8H2,1H3,(H,16,17)/t10-,12-,13?,14+,15?/m1/s1.
What are the key properties of 2-phenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide?
2-phenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide has a molecular weight of 311.33 g/mol, XLogP of -1.20, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide is sourced from PubChem (CID 72836873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).