2-(hydroxymethyl)-6-(4-methanimidoylphenoxy)oxane-3,4,5-triol

C13H17NO6 — CID 88964794

IUPAC2-(hydroxymethyl)-6-(4-methanimidoylphenoxy)oxane-3,4,5-triol
SMILES[H]/N=C/c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1
InChIInChI=1S/C13H17NO6/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-18H,6H2/b14-5+
InChIKeyGQJXZXHXJDOOFP-LHHJGKSTSA-N
MW283.28 g/mol
LogP-1.14
Rot. Bonds4

About 2-(hydroxymethyl)-6-(4-methanimidoylphenoxy)oxane-3,4,5-triol

2-(hydroxymethyl)-6-(4-methanimidoylphenoxy)oxane-3,4,5-triol (PubChem CID 88964794) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-(4-methanimidoylphenoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-(4-methanimidoylphenoxy)oxane-3,4,5-triol
PubChem CID88964794
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name2-(hydroxymethyl)-6-(4-methanimidoylphenoxy)oxane-3,4,5-triol
SMILES[H]/N=C/c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1
InChIInChI=1S/C13H17NO6/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-18H,6H2/b14-5+
InChIKeyGQJXZXHXJDOOFP-LHHJGKSTSA-N
XLogP-1.14
TPSA123.23 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-1.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol;methane
CID 159395031
(3S,4R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 146852325
(3S,5S,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 90056515
(3S,6R)-2-(hydroxymethyl)-6-[4-[4-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]oxane-3,4,5-triol
CID 134423364
2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 72727112
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4,5-triol
CID 26917484
(3R,4S,5S,6R)-2-(4-fluorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90014619
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-(4-iodophenoxy)oxane-3,4,5-triol
CID 54360485
(2S,3R,4R,5S,6R)-2-(4-chlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7078194
(2S,4S,5S)-2-(4-fluorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71182083
(2S,3S,4S,5R)-2-(4-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 66509217
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(4-prop-2-enylphenoxy)oxane-3,4,5-triol
CID 69322896

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-(4-methanimidoylphenoxy)oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-(4-methanimidoylphenoxy)oxane-3,4,5-triol (CID 88964794) is 2-(hydroxymethyl)-6-(4-methanimidoylphenoxy)oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-(4-methanimidoylphenoxy)oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-(4-methanimidoylphenoxy)oxane-3,4,5-triol is [H]/N=C/c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1.
What is the InChIKey of 2-(hydroxymethyl)-6-(4-methanimidoylphenoxy)oxane-3,4,5-triol?
The InChIKey is GQJXZXHXJDOOFP-LHHJGKSTSA-N. The full InChI is InChI=1S/C13H17NO6/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-18H,6H2/b14-5+.
What are the key properties of 2-(hydroxymethyl)-6-(4-methanimidoylphenoxy)oxane-3,4,5-triol?
2-(hydroxymethyl)-6-(4-methanimidoylphenoxy)oxane-3,4,5-triol has a molecular weight of 283.28 g/mol, XLogP of -1.14, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-(4-methanimidoylphenoxy)oxane-3,4,5-triol is sourced from PubChem (CID 88964794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).