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

C11H21NO8 — CID 90642944

IUPACN-[(2S,3R,4R,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@@H](OC[C@@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H21NO8/c1-5(15)12-8-10(18)9(17)7(3-14)20-11(8)19-4-6(16)2-13/h6-11,13-14,16-18H,2-4H2,1H3,(H,12,15)/t6-,7+,8+,9+,10+,11-/m0/s1
InChIKeyBURZSZGRQNCGQJ-KEWAQLPFSA-N
MW295.29 g/mol
LogP-3.70
Rot. Bonds6

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

N-[(2S,3R,4R,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 90642944) has the molecular formula C11H21NO8 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID90642944
Molecular FormulaC11H21NO8
Molecular Weight295.29 g/mol
Exact Mass295.13
IUPAC NameN-[(2S,3R,4R,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@@H](OC[C@@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H21NO8/c1-5(15)12-8-10(18)9(17)7(3-14)20-11(8)19-4-6(16)2-13/h6-11,13-14,16-18H,2-4H2,1H3,(H,12,15)/t6-,7+,8+,9+,10+,11-/m0/s1
InChIKeyBURZSZGRQNCGQJ-KEWAQLPFSA-N
XLogP-3.70
TPSA148.71 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.29
LogP ≤ 5-3.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze N-[(2S,3R,4R,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4R,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 90642944) is N-[(2S,3R,4R,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4R,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4R,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@H]1[C@@H](OC[C@@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(2S,3R,4R,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is BURZSZGRQNCGQJ-KEWAQLPFSA-N. The full InChI is InChI=1S/C11H21NO8/c1-5(15)12-8-10(18)9(17)7(3-14)20-11(8)19-4-6(16)2-13/h6-11,13-14,16-18H,2-4H2,1H3,(H,12,15)/t6-,7+,8+,9+,10+,11-/m0/s1.
What are the key properties of N-[(2S,3R,4R,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[(2S,3R,4R,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 295.29 g/mol, XLogP of -3.70, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 90642944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).