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

C16H23NO6 — CID 11872077

IUPACN-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](OCCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H23NO6/c1-10(19)17-13-15(21)14(20)12(9-18)23-16(13)22-8-7-11-5-3-2-4-6-11/h2-6,12-16,18,20-21H,7-9H2,1H3,(H,17,19)/t12-,13-,14-,15-,16-/m1/s1
InChIKeyAWQUKGSFRUAVQO-OXGONZEZSA-N
MW325.36 g/mol
LogP-0.81
Rot. Bonds6

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

N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]acetamide (PubChem CID 11872077) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]acetamide
PubChem CID11872077
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC NameN-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](OCCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H23NO6/c1-10(19)17-13-15(21)14(20)12(9-18)23-16(13)22-8-7-11-5-3-2-4-6-11/h2-6,12-16,18,20-21H,7-9H2,1H3,(H,17,19)/t12-,13-,14-,15-,16-/m1/s1
InChIKeyAWQUKGSFRUAVQO-OXGONZEZSA-N
XLogP-0.81
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]acetamide (CID 11872077) is N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]acetamide is CC(=O)N[C@H]1[C@H](OCCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]acetamide?
The InChIKey is AWQUKGSFRUAVQO-OXGONZEZSA-N. The full InChI is InChI=1S/C16H23NO6/c1-10(19)17-13-15(21)14(20)12(9-18)23-16(13)22-8-7-11-5-3-2-4-6-11/h2-6,12-16,18,20-21H,7-9H2,1H3,(H,17,19)/t12-,13-,14-,15-,16-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]acetamide?
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]acetamide has a molecular weight of 325.36 g/mol, XLogP of -0.81, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]acetamide is sourced from PubChem (CID 11872077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).