[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxan-4-yl] acetate

C20H23NO7 — CID 102536824

IUPAC[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxan-4-yl] acetate
SMILESCC(=O)NC1C(Oc2ccc3ccccc3c2)OC(CO)C(O)C1OC(C)=O
InChIInChI=1S/C20H23NO7/c1-11(23)21-17-19(26-12(2)24)18(25)16(10-22)28-20(17)27-15-8-7-13-5-3-4-6-14(13)9-15/h3-9,16-20,22,25H,10H2,1-2H3,(H,21,23)
InChIKeyFRTSLPFLUVGQPA-UHFFFAOYSA-N
MW389.40 g/mol
LogP0.73
Rot. Bonds5

About [5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxan-4-yl] acetate

[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxan-4-yl] acetate (PubChem CID 102536824) has the molecular formula C20H23NO7 and a molecular weight of 389.40 g/mol. Its IUPAC name is [5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxan-4-yl] acetate.

Molecular Properties

Compound Name[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxan-4-yl] acetate
PubChem CID102536824
Molecular FormulaC20H23NO7
Molecular Weight389.40 g/mol
Exact Mass389.15
IUPAC Name[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxan-4-yl] acetate
SMILESCC(=O)NC1C(Oc2ccc3ccccc3c2)OC(CO)C(O)C1OC(C)=O
InChIInChI=1S/C20H23NO7/c1-11(23)21-17-19(26-12(2)24)18(25)16(10-22)28-20(17)27-15-8-7-13-5-3-4-6-14(13)9-15/h3-9,16-20,22,25H,10H2,1-2H3,(H,21,23)
InChIKeyFRTSLPFLUVGQPA-UHFFFAOYSA-N
XLogP0.73
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R,3S,4S,5S,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxan-4-yl] acetate
CID 124744758
[(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-4-yl] acetate
CID 14775022
N-[(2S,3R,4S,5S,6S)-2-(6-bromonaphthalen-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 94826479
(2S,3S,4R,5S,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 7099542
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 2724405
N-[(2S,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-(4-methoxyphenoxy)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 42631742
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
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(3-hydroxynaphthalen-2-yl)oxyoxan-3-yl]acetamide
CID 118070349
N-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methoxyphenoxy)oxan-3-yl]acetamide
CID 70894252
N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methoxyphenoxy)oxan-3-yl]acetamide
CID 6542879
N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methoxyphenoxy)oxan-3-yl]acetamide
CID 70894255

Frequently Asked Questions

What is the IUPAC name of [5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxan-4-yl] acetate?
The IUPAC name of [5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxan-4-yl] acetate (CID 102536824) is [5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxan-4-yl] acetate.
What is the SMILES notation for [5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxan-4-yl] acetate?
The canonical SMILES for [5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxan-4-yl] acetate is CC(=O)NC1C(Oc2ccc3ccccc3c2)OC(CO)C(O)C1OC(C)=O.
What is the InChIKey of [5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxan-4-yl] acetate?
The InChIKey is FRTSLPFLUVGQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO7/c1-11(23)21-17-19(26-12(2)24)18(25)16(10-22)28-20(17)27-15-8-7-13-5-3-4-6-14(13)9-15/h3-9,16-20,22,25H,10H2,1-2H3,(H,21,23).
What are the key properties of [5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxan-4-yl] acetate?
[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxan-4-yl] acetate has a molecular weight of 389.40 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxan-4-yl] acetate is sourced from PubChem (CID 102536824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).