N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminoacetamide

C8H14N2O6 — CID 90078311

IUPACN-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminoacetamide
SMILESCC(=O)/N=N/[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C8H14N2O6/c1-3(12)9-10-5-7(14)6(13)4(2-11)16-8(5)15/h4-8,11,13-15H,2H2,1H3/b10-9+/t4-,5-,6+,7-,8-/m1/s1
InChIKeyCRAJCEQDVHXVCI-IRCVIWNGSA-N
MW234.21 g/mol
LogP-2.21
Rot. Bonds2

About N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminoacetamide

N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminoacetamide (PubChem CID 90078311) has the molecular formula C8H14N2O6 and a molecular weight of 234.21 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminoacetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminoacetamide
PubChem CID90078311
Molecular FormulaC8H14N2O6
Molecular Weight234.21 g/mol
Exact Mass234.09
IUPAC NameN-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminoacetamide
SMILESCC(=O)/N=N/[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C8H14N2O6/c1-3(12)9-10-5-7(14)6(13)4(2-11)16-8(5)15/h4-8,11,13-15H,2H2,1H3/b10-9+/t4-,5-,6+,7-,8-/m1/s1
InChIKeyCRAJCEQDVHXVCI-IRCVIWNGSA-N
XLogP-2.21
TPSA131.94 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminoacetamide with MolForge

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Related Compounds

4-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminobutan-2-one
CID 90766738
N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidate
CID 22870451
acetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 67893227
[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 56621960
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(2R,5S)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 135080637
(4S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 172641707
(2R,3S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 130197819
4-hydroxy-4-oxo-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanimidate
CID 100972316
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminoacetamide?
The IUPAC name of N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminoacetamide (CID 90078311) is N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminoacetamide.
What is the SMILES notation for N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminoacetamide?
The canonical SMILES for N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminoacetamide is CC(=O)/N=N/[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O.
What is the InChIKey of N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminoacetamide?
The InChIKey is CRAJCEQDVHXVCI-IRCVIWNGSA-N. The full InChI is InChI=1S/C8H14N2O6/c1-3(12)9-10-5-7(14)6(13)4(2-11)16-8(5)15/h4-8,11,13-15H,2H2,1H3/b10-9+/t4-,5-,6+,7-,8-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminoacetamide?
N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminoacetamide has a molecular weight of 234.21 g/mol, XLogP of -2.21, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminoacetamide is sourced from PubChem (CID 90078311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).