N-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]oxyphenyl]acetamide

C14H17NO7 — CID 123766726

IUPACN-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(OC2OC(CO)C(O)C(O)C2=O)cc1
InChIInChI=1S/C14H17NO7/c1-7(17)15-8-2-4-9(5-3-8)21-14-13(20)12(19)11(18)10(6-16)22-14/h2-5,10-12,14,16,18-19H,6H2,1H3,(H,15,17)
InChIKeyCXDVBZHNGODPQI-UHFFFAOYSA-N
MW311.29 g/mol
LogP-0.97
Rot. Bonds4

About N-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]oxyphenyl]acetamide

N-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]oxyphenyl]acetamide (PubChem CID 123766726) has the molecular formula C14H17NO7 and a molecular weight of 311.29 g/mol. Its IUPAC name is N-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]oxyphenyl]acetamide
PubChem CID123766726
Molecular FormulaC14H17NO7
Molecular Weight311.29 g/mol
Exact Mass311.10
IUPAC NameN-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(OC2OC(CO)C(O)C(O)C2=O)cc1
InChIInChI=1S/C14H17NO7/c1-7(17)15-8-2-4-9(5-3-8)21-14-13(20)12(19)11(18)10(6-16)22-14/h2-5,10-12,14,16,18-19H,6H2,1H3,(H,15,17)
InChIKeyCXDVBZHNGODPQI-UHFFFAOYSA-N
XLogP-0.97
TPSA125.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]oxyphenyl]acetamide?
The IUPAC name of N-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]oxyphenyl]acetamide (CID 123766726) is N-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]oxyphenyl]acetamide is CC(=O)Nc1ccc(OC2OC(CO)C(O)C(O)C2=O)cc1.
What is the InChIKey of N-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]oxyphenyl]acetamide?
The InChIKey is CXDVBZHNGODPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO7/c1-7(17)15-8-2-4-9(5-3-8)21-14-13(20)12(19)11(18)10(6-16)22-14/h2-5,10-12,14,16,18-19H,6H2,1H3,(H,15,17).
What are the key properties of N-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]oxyphenyl]acetamide?
N-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]oxyphenyl]acetamide has a molecular weight of 311.29 g/mol, XLogP of -0.97, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]oxyphenyl]acetamide is sourced from PubChem (CID 123766726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).