3-[2-(3-amino-3-hydroxyiminopropoxy)-3,4,5,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide

C12H26N4O8 — CID 123489894

IUPAC3-[2-(3-amino-3-hydroxyiminopropoxy)-3,4,5,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide
SMILESNC(CCOCC(OCCC(N)=NO)C(O)C(O)C(O)CO)=NO
InChIInChI=1S/C12H26N4O8/c13-9(15-21)1-3-23-6-8(24-4-2-10(14)16-22)12(20)11(19)7(18)5-17/h7-8,11-12,17-22H,1-6H2,(H2,13,15)(H2,14,16)
InChIKeyGEEPKHRBNJGISI-UHFFFAOYSA-N
MW354.36 g/mol
LogP-3.26
Rot. Bonds13

About 3-[2-(3-amino-3-hydroxyiminopropoxy)-3,4,5,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide

3-[2-(3-amino-3-hydroxyiminopropoxy)-3,4,5,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide (PubChem CID 123489894) has the molecular formula C12H26N4O8 and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-[2-(3-amino-3-hydroxyiminopropoxy)-3,4,5,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[2-(3-amino-3-hydroxyiminopropoxy)-3,4,5,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide
PubChem CID123489894
Molecular FormulaC12H26N4O8
Molecular Weight354.36 g/mol
Exact Mass354.18
IUPAC Name3-[2-(3-amino-3-hydroxyiminopropoxy)-3,4,5,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide
SMILESNC(CCOCC(OCCC(N)=NO)C(O)C(O)C(O)CO)=NO
InChIInChI=1S/C12H26N4O8/c13-9(15-21)1-3-23-6-8(24-4-2-10(14)16-22)12(20)11(19)7(18)5-17/h7-8,11-12,17-22H,1-6H2,(H2,13,15)(H2,14,16)
InChIKeyGEEPKHRBNJGISI-UHFFFAOYSA-N
XLogP-3.26
TPSA216.60 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.36
LogP ≤ 5-3.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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'}

Analyze 3-[2-(3-amino-3-hydroxyiminopropoxy)-3,4,5,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(3-amino-3-hydroxyiminopropoxy)-2,3,4,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide
CID 123709662
3-[4-(3-amino-3-hydroxyiminopropoxy)-2,3,5-trihydroxypentoxy]-N'-hydroxypropanimidamide
CID 123193325
N'-hydroxy-3-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis[(3Z)-3-amino-3-hydroxyiminopropoxy]hexoxy]propanimidamide
CID 58186608
N'-hydroxy-3-[3,4,5-tris(3-amino-3-hydroxyiminopropoxy)-2,6-dihydroxyhexoxy]propanimidamide
CID 123534499
1,5,6-tris(2-hydroxyethoxy)hexane-2,3,4-triol
CID 20813425
5-(2-hydroxyethoxy)hexane-1,2,3,4,6-pentol
CID 86156615
1,2,4,5-tetrakis(2-hydroxyethoxy)pentan-3-ol
CID 20813416
6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol
CID 22287921
6-[16-(2,3,4,5,6-pentahydroxyhexoxy)hexadecoxy]hexane-1,2,3,4,5-pentol
CID 550069
4,5,6-tripentoxyhexane-1,2,3-triol
CID 88729253
bis(cyclohexane-1,2,3,4,5,6-hexol);hexane-1,2,3,4,5,6-hexol
CID 159403758
(2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol
CID 88961080

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-amino-3-hydroxyiminopropoxy)-3,4,5,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[2-(3-amino-3-hydroxyiminopropoxy)-3,4,5,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide (CID 123489894) is 3-[2-(3-amino-3-hydroxyiminopropoxy)-3,4,5,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[2-(3-amino-3-hydroxyiminopropoxy)-3,4,5,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[2-(3-amino-3-hydroxyiminopropoxy)-3,4,5,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide is NC(CCOCC(OCCC(N)=NO)C(O)C(O)C(O)CO)=NO.
What is the InChIKey of 3-[2-(3-amino-3-hydroxyiminopropoxy)-3,4,5,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide?
The InChIKey is GEEPKHRBNJGISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O8/c13-9(15-21)1-3-23-6-8(24-4-2-10(14)16-22)12(20)11(19)7(18)5-17/h7-8,11-12,17-22H,1-6H2,(H2,13,15)(H2,14,16).
What are the key properties of 3-[2-(3-amino-3-hydroxyiminopropoxy)-3,4,5,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide?
3-[2-(3-amino-3-hydroxyiminopropoxy)-3,4,5,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide has a molecular weight of 354.36 g/mol, XLogP of -3.26, 13 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-amino-3-hydroxyiminopropoxy)-3,4,5,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide is sourced from PubChem (CID 123489894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).