N-[(2R,3R,5S,6R)-2-amino-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrate

C8H18N2O5 — CID 42626587

IUPACN-[(2R,3R,5S,6R)-2-amino-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrate
SMILESCC(=O)N[C@@H]1C[C@H](O)[C@@H](CO)O[C@H]1N.O
InChIInChI=1S/C8H16N2O4.H2O/c1-4(12)10-5-2-6(13)7(3-11)14-8(5)9;/h5-8,11,13H,2-3,9H2,1H3,(H,10,12);1H2/t5-,6+,7-,8-;/m1./s1
InChIKeyUHHLFEVBICQNLM-FNYDNKIFSA-N
MW222.24 g/mol
LogP-2.91
Rot. Bonds2

About N-[(2R,3R,5S,6R)-2-amino-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrate

N-[(2R,3R,5S,6R)-2-amino-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrate (PubChem CID 42626587) has the molecular formula C8H18N2O5 and a molecular weight of 222.24 g/mol. Its IUPAC name is N-[(2R,3R,5S,6R)-2-amino-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrate.

Molecular Properties

Compound NameN-[(2R,3R,5S,6R)-2-amino-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrate
PubChem CID42626587
Molecular FormulaC8H18N2O5
Molecular Weight222.24 g/mol
Exact Mass222.12
IUPAC NameN-[(2R,3R,5S,6R)-2-amino-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrate
SMILESCC(=O)N[C@@H]1C[C@H](O)[C@@H](CO)O[C@H]1N.O
InChIInChI=1S/C8H16N2O4.H2O/c1-4(12)10-5-2-6(13)7(3-11)14-8(5)9;/h5-8,11,13H,2-3,9H2,1H3,(H,10,12);1H2/t5-,6+,7-,8-;/m1./s1
InChIKeyUHHLFEVBICQNLM-FNYDNKIFSA-N
XLogP-2.91
TPSA136.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-2.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
CID 144967477
[5-acetamido-4-acetyloxy-6-amino-2-(hydroxymethyl)oxan-3-yl] acetate
CID 129227864
N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
CID 101213894
[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate
CID 90165528
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron
CID 155817620
N-[(2R,3R,4R,5S,6R)-4-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 154572806
N-[(3R,4S,5R,6S)-5-amino-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 139572683
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-amino-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 10502381
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane
CID 155732259
N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 92534288
N-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 131207372
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,5S,6R)-2-amino-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrate?
The IUPAC name of N-[(2R,3R,5S,6R)-2-amino-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrate (CID 42626587) is N-[(2R,3R,5S,6R)-2-amino-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrate.
What is the SMILES notation for N-[(2R,3R,5S,6R)-2-amino-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrate?
The canonical SMILES for N-[(2R,3R,5S,6R)-2-amino-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrate is CC(=O)N[C@@H]1C[C@H](O)[C@@H](CO)O[C@H]1N.O.
What is the InChIKey of N-[(2R,3R,5S,6R)-2-amino-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrate?
The InChIKey is UHHLFEVBICQNLM-FNYDNKIFSA-N. The full InChI is InChI=1S/C8H16N2O4.H2O/c1-4(12)10-5-2-6(13)7(3-11)14-8(5)9;/h5-8,11,13H,2-3,9H2,1H3,(H,10,12);1H2/t5-,6+,7-,8-;/m1./s1.
What are the key properties of N-[(2R,3R,5S,6R)-2-amino-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrate?
N-[(2R,3R,5S,6R)-2-amino-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrate has a molecular weight of 222.24 g/mol, XLogP of -2.91, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,5S,6R)-2-amino-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrate is sourced from PubChem (CID 42626587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).