N'-hydroxy-3-[3,4,5-tris(3-amino-3-hydroxyiminopropoxy)-2,6-dihydroxyhexoxy]propanimidamide

C18H38N8O10 — CID 123534499

IUPACN'-hydroxy-3-[3,4,5-tris(3-amino-3-hydroxyiminopropoxy)-2,6-dihydroxyhexoxy]propanimidamide
SMILESNC(CCOCC(O)C(OCCC(N)=NO)C(OCCC(N)=NO)C(CO)OCCC(N)=NO)=NO
InChIInChI=1S/C18H38N8O10/c19-13(23-29)1-5-33-10-11(28)17(35-7-3-15(21)25-31)18(36-8-4-16(22)26-32)12(9-27)34-6-2-14(20)24-30/h11-12,17-18,27-32H,1-10H2,(H2,19,23)(H2,20,24)(H2,21,25)(H2,22,26)
InChIKeyJOGKXTQRJIQZRT-UHFFFAOYSA-N
MW526.55 g/mol
LogP-2.94
Rot. Bonds21

About N'-hydroxy-3-[3,4,5-tris(3-amino-3-hydroxyiminopropoxy)-2,6-dihydroxyhexoxy]propanimidamide

N'-hydroxy-3-[3,4,5-tris(3-amino-3-hydroxyiminopropoxy)-2,6-dihydroxyhexoxy]propanimidamide (PubChem CID 123534499) has the molecular formula C18H38N8O10 and a molecular weight of 526.55 g/mol. Its IUPAC name is N'-hydroxy-3-[3,4,5-tris(3-amino-3-hydroxyiminopropoxy)-2,6-dihydroxyhexoxy]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3,4,5-tris(3-amino-3-hydroxyiminopropoxy)-2,6-dihydroxyhexoxy]propanimidamide
PubChem CID123534499
Molecular FormulaC18H38N8O10
Molecular Weight526.55 g/mol
Exact Mass526.27
IUPAC NameN'-hydroxy-3-[3,4,5-tris(3-amino-3-hydroxyiminopropoxy)-2,6-dihydroxyhexoxy]propanimidamide
SMILESNC(CCOCC(O)C(OCCC(N)=NO)C(OCCC(N)=NO)C(CO)OCCC(N)=NO)=NO
InChIInChI=1S/C18H38N8O10/c19-13(23-29)1-5-33-10-11(28)17(35-7-3-15(21)25-31)18(36-8-4-16(22)26-32)12(9-27)34-6-2-14(20)24-30/h11-12,17-18,27-32H,1-10H2,(H2,19,23)(H2,20,24)(H2,21,25)(H2,22,26)
InChIKeyJOGKXTQRJIQZRT-UHFFFAOYSA-N
XLogP-2.94
TPSA311.82 Ų
H-Bond Donors10
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500526.55
LogP ≤ 5-2.94
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1014

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 N'-hydroxy-3-[3,4,5-tris(3-amino-3-hydroxyiminopropoxy)-2,6-dihydroxyhexoxy]propanimidamide 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-[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
3-[5-(3-amino-3-hydroxyiminopropoxy)-2,3,4,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide
CID 123709662
3-[2-(3-amino-3-hydroxyiminopropoxy)-3,4,5,6-tetrahydroxyhexoxy]-N'-hydroxypropanimidamide
CID 123489894
3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide
CID 59557674
3-[3-(3-amino-3-hydroxyiminopropoxy)-2,2-bis[(3-amino-3-hydroxyiminopropoxy)methyl]propoxy]-N'-hydroxypropanimidamide
CID 76587956
3-butan-2-yloxy-N'-hydroxypropanimidamide
CID 60904690
3-[2,5,6-trihydroxy-3,4-bis[3-(2-oxobutanoyloxy)propoxy]hexoxy]propyl 2-oxobutanoate
CID 56987618
(2S,3R)-2,4-di(nonoxy)butane-1,3-diol
CID 175531574
2-butoxy-4-(2-butoxyethoxy)butane-1,3-diol
CID 91218180
3-heptoxy-N'-hydroxypropanimidamide
CID 43128360
N'-hydroxy-4-propan-2-yloxybutanimidamide
CID 24692714

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3,4,5-tris(3-amino-3-hydroxyiminopropoxy)-2,6-dihydroxyhexoxy]propanimidamide?
The IUPAC name of N'-hydroxy-3-[3,4,5-tris(3-amino-3-hydroxyiminopropoxy)-2,6-dihydroxyhexoxy]propanimidamide (CID 123534499) is N'-hydroxy-3-[3,4,5-tris(3-amino-3-hydroxyiminopropoxy)-2,6-dihydroxyhexoxy]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[3,4,5-tris(3-amino-3-hydroxyiminopropoxy)-2,6-dihydroxyhexoxy]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[3,4,5-tris(3-amino-3-hydroxyiminopropoxy)-2,6-dihydroxyhexoxy]propanimidamide is NC(CCOCC(O)C(OCCC(N)=NO)C(OCCC(N)=NO)C(CO)OCCC(N)=NO)=NO.
What is the InChIKey of N'-hydroxy-3-[3,4,5-tris(3-amino-3-hydroxyiminopropoxy)-2,6-dihydroxyhexoxy]propanimidamide?
The InChIKey is JOGKXTQRJIQZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N8O10/c19-13(23-29)1-5-33-10-11(28)17(35-7-3-15(21)25-31)18(36-8-4-16(22)26-32)12(9-27)34-6-2-14(20)24-30/h11-12,17-18,27-32H,1-10H2,(H2,19,23)(H2,20,24)(H2,21,25)(H2,22,26).
What are the key properties of N'-hydroxy-3-[3,4,5-tris(3-amino-3-hydroxyiminopropoxy)-2,6-dihydroxyhexoxy]propanimidamide?
N'-hydroxy-3-[3,4,5-tris(3-amino-3-hydroxyiminopropoxy)-2,6-dihydroxyhexoxy]propanimidamide has a molecular weight of 526.55 g/mol, XLogP of -2.94, 21 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[3,4,5-tris(3-amino-3-hydroxyiminopropoxy)-2,6-dihydroxyhexoxy]propanimidamide is sourced from PubChem (CID 123534499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).