5-[2-(1-hydroxyethoxy)ethylamino]pentane-1,2,3,4-tetrol

C9H21NO6 — CID 21257697

IUPAC5-[2-(1-hydroxyethoxy)ethylamino]pentane-1,2,3,4-tetrol
SMILESCC(O)OCCNCC(O)C(O)C(O)CO
InChIInChI=1S/C9H21NO6/c1-6(12)16-3-2-10-4-7(13)9(15)8(14)5-11/h6-15H,2-5H2,1H3
InChIKeyVAZQHFYMDNWMHG-UHFFFAOYSA-N
MW239.27 g/mol
LogP-2.99
Rot. Bonds9

About 5-[2-(1-hydroxyethoxy)ethylamino]pentane-1,2,3,4-tetrol

5-[2-(1-hydroxyethoxy)ethylamino]pentane-1,2,3,4-tetrol (PubChem CID 21257697) has the molecular formula C9H21NO6 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[2-(1-hydroxyethoxy)ethylamino]pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name5-[2-(1-hydroxyethoxy)ethylamino]pentane-1,2,3,4-tetrol
PubChem CID21257697
Molecular FormulaC9H21NO6
Molecular Weight239.27 g/mol
Exact Mass239.14
IUPAC Name5-[2-(1-hydroxyethoxy)ethylamino]pentane-1,2,3,4-tetrol
SMILESCC(O)OCCNCC(O)C(O)C(O)CO
InChIInChI=1S/C9H21NO6/c1-6(12)16-3-2-10-4-7(13)9(15)8(14)5-11/h6-15H,2-5H2,1H3
InChIKeyVAZQHFYMDNWMHG-UHFFFAOYSA-N
XLogP-2.99
TPSA122.41 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.27
LogP ≤ 5-2.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(hydroxymethylamino)ethoxy]ethanol
CID 87282458
7-(3-methylbutylamino)heptane-1,2,3,4,5,6-hexol
CID 146519465
(2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol
CID 104760155
(2S,3S,4S,5R)-6-(butylamino)hexane-1,2,3,4,5-pentol
CID 16738764
(2R,3R,4R,5R)-6-(2-sulfanylethylamino)hexane-1,2,3,4,5-pentol
CID 11601181
1-[2-(2-ethoxyethylamino)ethoxy]ethanol
CID 163206684
(2R,3R,4R,5S)-6-(hexylamino)hexane-1,2,3,4,5-pentol;6-(hexylamino)hexane-1,2,3,4,5-pentol
CID 159342301
3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol
CID 106285645
(2R,3R,4R,5R)-6-(tetradecylamino)hexane-1,2,3,4,5-pentol
CID 154326806
(2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol
CID 59973525
(2R,3R,4R,5S)-6-(3-ethenoxypropylamino)hexane-1,2,3,4,5-pentol
CID 87279547
(2R,3R,4R,5S)-6-(19-hydroxynonadecylamino)hexane-1,2,3,4,5-pentol
CID 139633655

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-hydroxyethoxy)ethylamino]pentane-1,2,3,4-tetrol?
The IUPAC name of 5-[2-(1-hydroxyethoxy)ethylamino]pentane-1,2,3,4-tetrol (CID 21257697) is 5-[2-(1-hydroxyethoxy)ethylamino]pentane-1,2,3,4-tetrol.
What is the SMILES notation for 5-[2-(1-hydroxyethoxy)ethylamino]pentane-1,2,3,4-tetrol?
The canonical SMILES for 5-[2-(1-hydroxyethoxy)ethylamino]pentane-1,2,3,4-tetrol is CC(O)OCCNCC(O)C(O)C(O)CO.
What is the InChIKey of 5-[2-(1-hydroxyethoxy)ethylamino]pentane-1,2,3,4-tetrol?
The InChIKey is VAZQHFYMDNWMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO6/c1-6(12)16-3-2-10-4-7(13)9(15)8(14)5-11/h6-15H,2-5H2,1H3.
What are the key properties of 5-[2-(1-hydroxyethoxy)ethylamino]pentane-1,2,3,4-tetrol?
5-[2-(1-hydroxyethoxy)ethylamino]pentane-1,2,3,4-tetrol has a molecular weight of 239.27 g/mol, XLogP of -2.99, 9 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-hydroxyethoxy)ethylamino]pentane-1,2,3,4-tetrol is sourced from PubChem (CID 21257697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).