N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide

C14H24N4O6 — CID 7761458

IUPACN-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1O[C@@H](O)[C@H](NC(C)=O)[C@@H](NC(C)=O)[C@H]1NC(C)=O
InChIInChI=1S/C14H24N4O6/c1-6(19)15-5-10-11(16-7(2)20)12(17-8(3)21)13(14(23)24-10)18-9(4)22/h10-14,23H,5H2,1-4H3,(H,15,19)(H,16,20)(H,17,21)(H,18,22)/t10-,11+,12+,13-,14-/m1/s1
InChIKeyHGTOZNCIKAROQC-MBJXGIAVSA-N
MW344.37 g/mol
LogP-2.65
Rot. Bonds5

About N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide

N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide (PubChem CID 7761458) has the molecular formula C14H24N4O6 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide
PubChem CID7761458
Molecular FormulaC14H24N4O6
Molecular Weight344.37 g/mol
Exact Mass344.17
IUPAC NameN-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1O[C@@H](O)[C@H](NC(C)=O)[C@@H](NC(C)=O)[C@H]1NC(C)=O
InChIInChI=1S/C14H24N4O6/c1-6(19)15-5-10-11(16-7(2)20)12(17-8(3)21)13(14(23)24-10)18-9(4)22/h10-14,23H,5H2,1-4H3,(H,15,19)(H,16,20)(H,17,21)(H,18,22)/t10-,11+,12+,13-,14-/m1/s1
InChIKeyHGTOZNCIKAROQC-MBJXGIAVSA-N
XLogP-2.65
TPSA145.86 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 5-2.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide with MolForge

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Related Compounds

N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
CID 131118562
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646
N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611
N-[(3S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 16757753
N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11861101
N-[[(2R,3S,4S,5R)-3-acetamido-4,5,6-trimethoxyoxan-2-yl]methyl]acetamide
CID 22214877
N-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]acetamide
CID 70004972
N-[2,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 71079558
acetic acid;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 158802071
ethene;N-[(4S,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 157487416
molecular hydrogen;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 158718880
N-[(3R,4R,5S,6R)-5-fluoro-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 10466144

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide (CID 7761458) is N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide is CC(=O)NC[C@H]1O[C@@H](O)[C@H](NC(C)=O)[C@@H](NC(C)=O)[C@H]1NC(C)=O.
What is the InChIKey of N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide?
The InChIKey is HGTOZNCIKAROQC-MBJXGIAVSA-N. The full InChI is InChI=1S/C14H24N4O6/c1-6(19)15-5-10-11(16-7(2)20)12(17-8(3)21)13(14(23)24-10)18-9(4)22/h10-14,23H,5H2,1-4H3,(H,15,19)(H,16,20)(H,17,21)(H,18,22)/t10-,11+,12+,13-,14-/m1/s1.
What are the key properties of N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide?
N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide has a molecular weight of 344.37 g/mol, XLogP of -2.65, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide is sourced from PubChem (CID 7761458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).