2-(2-hydroxyethylamino)ethanol;2,3,4,5,6-pentahydroxyhexanoic acid

C10H23NO9 — CID 78178362

IUPAC2-(2-hydroxyethylamino)ethanol;2,3,4,5,6-pentahydroxyhexanoic acid
SMILESO=C(O)C(O)C(O)C(O)C(O)CO.OCCNCCO
InChIInChI=1S/C6H12O7.C4H11NO2/c7-1-2(8)3(9)4(10)5(11)6(12)13;6-3-1-5-2-4-7/h2-5,7-11H,1H2,(H,12,13);5-7H,1-4H2
InChIKeyRLPKEZKBJIBKAG-UHFFFAOYSA-N
MW301.29 g/mol
LogP-4.93
Rot. Bonds9

About 2-(2-hydroxyethylamino)ethanol;2,3,4,5,6-pentahydroxyhexanoic acid

2-(2-hydroxyethylamino)ethanol;2,3,4,5,6-pentahydroxyhexanoic acid (PubChem CID 78178362) has the molecular formula C10H23NO9 and a molecular weight of 301.29 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;2,3,4,5,6-pentahydroxyhexanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;2,3,4,5,6-pentahydroxyhexanoic acid
PubChem CID78178362
Molecular FormulaC10H23NO9
Molecular Weight301.29 g/mol
Exact Mass301.14
IUPAC Name2-(2-hydroxyethylamino)ethanol;2,3,4,5,6-pentahydroxyhexanoic acid
SMILESO=C(O)C(O)C(O)C(O)C(O)CO.OCCNCCO
InChIInChI=1S/C6H12O7.C4H11NO2/c7-1-2(8)3(9)4(10)5(11)6(12)13;6-3-1-5-2-4-7/h2-5,7-11H,1H2,(H,12,13);5-7H,1-4H2
InChIKeyRLPKEZKBJIBKAG-UHFFFAOYSA-N
XLogP-4.93
TPSA190.94 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.29
LogP ≤ 5-4.93
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy(113C)hexanoic acid
CID 165412478
hexane-1,2,3,4,5,6-hexol;2,3,4,5,6-pentahydroxyhexanoic acid
CID 174726112
(4R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 134944021
(3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 11479470
azane;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 175905684
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;(2S,4R)-pentane-1,2,3,4,5-pentol
CID 175899129
copper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 14475284
2,3,4,5,6-pentahydroxyhexanoic acid;samarium
CID 174356569
pentacosazinc;tridecakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 173246066
(2S,3S,4S,5S,6S)-2,3,4,5,6,7-hexahydroxyheptanoic acid
CID 3084118
copper;pentakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 173123824
bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);titanium
CID 132993109

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;2,3,4,5,6-pentahydroxyhexanoic acid?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;2,3,4,5,6-pentahydroxyhexanoic acid (CID 78178362) is 2-(2-hydroxyethylamino)ethanol;2,3,4,5,6-pentahydroxyhexanoic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;2,3,4,5,6-pentahydroxyhexanoic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;2,3,4,5,6-pentahydroxyhexanoic acid is O=C(O)C(O)C(O)C(O)C(O)CO.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;2,3,4,5,6-pentahydroxyhexanoic acid?
The InChIKey is RLPKEZKBJIBKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O7.C4H11NO2/c7-1-2(8)3(9)4(10)5(11)6(12)13;6-3-1-5-2-4-7/h2-5,7-11H,1H2,(H,12,13);5-7H,1-4H2.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;2,3,4,5,6-pentahydroxyhexanoic acid?
2-(2-hydroxyethylamino)ethanol;2,3,4,5,6-pentahydroxyhexanoic acid has a molecular weight of 301.29 g/mol, XLogP of -4.93, 9 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;2,3,4,5,6-pentahydroxyhexanoic acid is sourced from PubChem (CID 78178362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).