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

C15H19NO7 — CID 124745106

IUPACN-[(2S,3S,4R,5R,6R)-2-(2-formylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H](Oc2ccccc2C=O)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H19NO7/c1-8(19)16-12-14(21)13(20)11(7-18)23-15(12)22-10-5-3-2-4-9(10)6-17/h2-6,11-15,18,20-21H,7H2,1H3,(H,16,19)/t11-,12+,13+,14-,15-/m1/s1
InChIKeyDIOIKYCIVSLRPT-GZBLMMOJSA-N
MW325.32 g/mol
LogP-1.18
Rot. Bonds5

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

N-[(2S,3S,4R,5R,6R)-2-(2-formylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 124745106) has the molecular formula C15H19NO7 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-[(2S,3S,4R,5R,6R)-2-(2-formylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S,4R,5R,6R)-2-(2-formylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID124745106
Molecular FormulaC15H19NO7
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC NameN-[(2S,3S,4R,5R,6R)-2-(2-formylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H](Oc2ccccc2C=O)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H19NO7/c1-8(19)16-12-14(21)13(20)11(7-18)23-15(12)22-10-5-3-2-4-9(10)6-17/h2-6,11-15,18,20-21H,7H2,1H3,(H,16,19)/t11-,12+,13+,14-,15-/m1/s1
InChIKeyDIOIKYCIVSLRPT-GZBLMMOJSA-N
XLogP-1.18
TPSA125.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]oxan-3-yl]acetamide
CID 124771294
N-[(2S,3S,4S,5S,6R)-2-(2-acetylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 124771237
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2-methylphenoxy)oxan-3-yl]acetamide
CID 3126954
N-[(2S,3R,4R,5S,6R)-2-(2-aminophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 67908567
2-[(2R,3S,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
CID 129360153
2-[(2R,3S,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
CID 129361554
N-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]acetamide
CID 71717834
N-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]acetamide
CID 6988277
methyl 2-[(2S,3S,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
CID 124746872
methyl 2-[(2R,3S,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
CID 11888746
sodium 2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
CID 23675785
N-[2-(4-formylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 5134324

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4R,5R,6R)-2-(2-formylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3S,4R,5R,6R)-2-(2-formylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 124745106) is N-[(2S,3S,4R,5R,6R)-2-(2-formylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3S,4R,5R,6R)-2-(2-formylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3S,4R,5R,6R)-2-(2-formylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@@H]1[C@H](Oc2ccccc2C=O)O[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[(2S,3S,4R,5R,6R)-2-(2-formylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is DIOIKYCIVSLRPT-GZBLMMOJSA-N. The full InChI is InChI=1S/C15H19NO7/c1-8(19)16-12-14(21)13(20)11(7-18)23-15(12)22-10-5-3-2-4-9(10)6-17/h2-6,11-15,18,20-21H,7H2,1H3,(H,16,19)/t11-,12+,13+,14-,15-/m1/s1.
What are the key properties of N-[(2S,3S,4R,5R,6R)-2-(2-formylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[(2S,3S,4R,5R,6R)-2-(2-formylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 325.32 g/mol, XLogP of -1.18, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4R,5R,6R)-2-(2-formylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 124745106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).