N-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide

C10H19NO4 — CID 134413629

IUPACN-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H](O)[C@H](C)[C@@H](CO)O[C@H]1C
InChIInChI=1S/C10H19NO4/c1-5-8(4-12)15-6(2)9(10(5)14)11-7(3)13/h5-6,8-10,12,14H,4H2,1-3H3,(H,11,13)/t5-,6+,8-,9+,10-/m1/s1
InChIKeyYPMHFWYGXDAJAB-OLBICGFXSA-N
MW217.26 g/mol
LogP-0.73
Rot. Bonds2

About N-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide

N-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide (PubChem CID 134413629) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
PubChem CID134413629
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H](O)[C@H](C)[C@@H](CO)O[C@H]1C
InChIInChI=1S/C10H19NO4/c1-5-8(4-12)15-6(2)9(10(5)14)11-7(3)13/h5-6,8-10,12,14H,4H2,1-3H3,(H,11,13)/t5-,6+,8-,9+,10-/m1/s1
InChIKeyYPMHFWYGXDAJAB-OLBICGFXSA-N
XLogP-0.73
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[(2S,3S,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
CID 134413631
N-[(4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 70930767
N-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 177167947
N-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 58911480
(2S,3S,4R,5R,6S)-5-(chloroamino)-2-(hydroxymethyl)-3,6-dimethyloxan-4-ol;N-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide;N-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]-3-sulfanylpropanamide
CID 159305594
N-[(2S,4S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyl-2-[methyl(phosphanyl)phosphanyl]oxyoxan-3-yl]acetamide
CID 161247715
N-[5-[3-acetamido-5-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 165377984
N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 70799397
N-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]acetamide
CID 70004972
N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
CID 131118562
N-[(2S,3R,4S,5R,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide
CID 56927717
N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide (CID 134413629) is N-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide is CC(=O)N[C@@H]1[C@H](O)[C@H](C)[C@@H](CO)O[C@H]1C.
What is the InChIKey of N-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide?
The InChIKey is YPMHFWYGXDAJAB-OLBICGFXSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-8(4-12)15-6(2)9(10(5)14)11-7(3)13/h5-6,8-10,12,14H,4H2,1-3H3,(H,11,13)/t5-,6+,8-,9+,10-/m1/s1.
What are the key properties of N-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide?
N-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide has a molecular weight of 217.26 g/mol, XLogP of -0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide is sourced from PubChem (CID 134413629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).