3-[4-(3-amino-3-hydroxyiminopropoxy)-2,3,5-trihydroxypentoxy]-N'-hydroxypropanimidamide

C11H24N4O7 — CID 123193325

IUPAC3-[4-(3-amino-3-hydroxyiminopropoxy)-2,3,5-trihydroxypentoxy]-N'-hydroxypropanimidamide
SMILESNC(CCOCC(O)C(O)C(CO)OCCC(N)=NO)=NO
InChIInChI=1S/C11H24N4O7/c12-9(14-19)1-3-21-6-7(17)11(18)8(5-16)22-4-2-10(13)15-20/h7-8,11,16-20H,1-6H2,(H2,12,14)(H2,13,15)
InChIKeyQJSXRXYFLKPRSL-UHFFFAOYSA-N
MW324.33 g/mol
LogP-2.62
Rot. Bonds12

About 3-[4-(3-amino-3-hydroxyiminopropoxy)-2,3,5-trihydroxypentoxy]-N'-hydroxypropanimidamide

3-[4-(3-amino-3-hydroxyiminopropoxy)-2,3,5-trihydroxypentoxy]-N'-hydroxypropanimidamide (PubChem CID 123193325) has the molecular formula C11H24N4O7 and a molecular weight of 324.33 g/mol. Its IUPAC name is 3-[4-(3-amino-3-hydroxyiminopropoxy)-2,3,5-trihydroxypentoxy]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[4-(3-amino-3-hydroxyiminopropoxy)-2,3,5-trihydroxypentoxy]-N'-hydroxypropanimidamide
PubChem CID123193325
Molecular FormulaC11H24N4O7
Molecular Weight324.33 g/mol
Exact Mass324.16
IUPAC Name3-[4-(3-amino-3-hydroxyiminopropoxy)-2,3,5-trihydroxypentoxy]-N'-hydroxypropanimidamide
SMILESNC(CCOCC(O)C(O)C(CO)OCCC(N)=NO)=NO
InChIInChI=1S/C11H24N4O7/c12-9(14-19)1-3-21-6-7(17)11(18)8(5-16)22-4-2-10(13)15-20/h7-8,11,16-20H,1-6H2,(H2,12,14)(H2,13,15)
InChIKeyQJSXRXYFLKPRSL-UHFFFAOYSA-N
XLogP-2.62
TPSA196.37 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.33
LogP ≤ 5-2.62
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[5-(3-amino-3-hydroxyiminopropoxy)-2,3,4,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide
CID 123709662
N'-hydroxy-3-[3,4,5-tris(3-amino-3-hydroxyiminopropoxy)-2,6-dihydroxyhexoxy]propanimidamide
CID 123534499
3-[2-(3-amino-3-hydroxyiminopropoxy)-3,4,5,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide
CID 123489894
N'-hydroxy-3-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis[(3Z)-3-amino-3-hydroxyiminopropoxy]hexoxy]propanimidamide
CID 58186608
3-[3-(3-amino-3-hydroxyiminopropoxy)-2,2-bis[(3-amino-3-hydroxyiminopropoxy)methyl]propoxy]-N'-hydroxypropanimidamide
CID 76587956
1,5,6-tris(2-hydroxyethoxy)hexane-2,3,4-triol
CID 20813425
3-butan-2-yloxy-N'-hydroxypropanimidamide
CID 60904690
6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol
CID 22287921
(2S,3R)-2,4-di(nonoxy)butane-1,3-diol
CID 175531574
6-[16-(2,3,4,5,6-pentahydroxyhexoxy)hexadecoxy]hexane-1,2,3,4,5-pentol
CID 550069
5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol
CID 86156615
2-butoxy-4-(2-butoxyethoxy)butane-1,3-diol
CID 91218180

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-amino-3-hydroxyiminopropoxy)-2,3,5-trihydroxypentoxy]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[4-(3-amino-3-hydroxyiminopropoxy)-2,3,5-trihydroxypentoxy]-N'-hydroxypropanimidamide (CID 123193325) is 3-[4-(3-amino-3-hydroxyiminopropoxy)-2,3,5-trihydroxypentoxy]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[4-(3-amino-3-hydroxyiminopropoxy)-2,3,5-trihydroxypentoxy]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[4-(3-amino-3-hydroxyiminopropoxy)-2,3,5-trihydroxypentoxy]-N'-hydroxypropanimidamide is NC(CCOCC(O)C(O)C(CO)OCCC(N)=NO)=NO.
What is the InChIKey of 3-[4-(3-amino-3-hydroxyiminopropoxy)-2,3,5-trihydroxypentoxy]-N'-hydroxypropanimidamide?
The InChIKey is QJSXRXYFLKPRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O7/c12-9(14-19)1-3-21-6-7(17)11(18)8(5-16)22-4-2-10(13)15-20/h7-8,11,16-20H,1-6H2,(H2,12,14)(H2,13,15).
What are the key properties of 3-[4-(3-amino-3-hydroxyiminopropoxy)-2,3,5-trihydroxypentoxy]-N'-hydroxypropanimidamide?
3-[4-(3-amino-3-hydroxyiminopropoxy)-2,3,5-trihydroxypentoxy]-N'-hydroxypropanimidamide has a molecular weight of 324.33 g/mol, XLogP of -2.62, 12 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-amino-3-hydroxyiminopropoxy)-2,3,5-trihydroxypentoxy]-N'-hydroxypropanimidamide is sourced from PubChem (CID 123193325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).