(2R,3R,4R,5S)-6-[2-(2-hydroxyphenyl)ethylamino]hexane-1,2,3,4,5-pentol

C14H23NO6 — CID 25224465

IUPAC(2R,3R,4R,5S)-6-[2-(2-hydroxyphenyl)ethylamino]hexane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNCCc1ccccc1O
InChIInChI=1S/C14H23NO6/c16-8-12(19)14(21)13(20)11(18)7-15-6-5-9-3-1-2-4-10(9)17/h1-4,11-21H,5-8H2/t11-,12+,13+,14+/m0/s1
InChIKeyICMCHJAROKSSNU-REWJHTLYSA-N
MW301.34 g/mol
LogP-2.04
Rot. Bonds9

About (2R,3R,4R,5S)-6-[2-(2-hydroxyphenyl)ethylamino]hexane-1,2,3,4,5-pentol

(2R,3R,4R,5S)-6-[2-(2-hydroxyphenyl)ethylamino]hexane-1,2,3,4,5-pentol (PubChem CID 25224465) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is (2R,3R,4R,5S)-6-[2-(2-hydroxyphenyl)ethylamino]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-6-[2-(2-hydroxyphenyl)ethylamino]hexane-1,2,3,4,5-pentol
PubChem CID25224465
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name(2R,3R,4R,5S)-6-[2-(2-hydroxyphenyl)ethylamino]hexane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNCCc1ccccc1O
InChIInChI=1S/C14H23NO6/c16-8-12(19)14(21)13(20)11(18)7-15-6-5-9-3-1-2-4-10(9)17/h1-4,11-21H,5-8H2/t11-,12+,13+,14+/m0/s1
InChIKeyICMCHJAROKSSNU-REWJHTLYSA-N
XLogP-2.04
TPSA133.41 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.34
LogP ≤ 5-2.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-6-[2-(2-hydroxyphenyl)ethylamino]hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R,5S)-6-[2-(2-hydroxyphenyl)ethylamino]hexane-1,2,3,4,5-pentol (CID 25224465) is (2R,3R,4R,5S)-6-[2-(2-hydroxyphenyl)ethylamino]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R,5S)-6-[2-(2-hydroxyphenyl)ethylamino]hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R,5S)-6-[2-(2-hydroxyphenyl)ethylamino]hexane-1,2,3,4,5-pentol is OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNCCc1ccccc1O.
What is the InChIKey of (2R,3R,4R,5S)-6-[2-(2-hydroxyphenyl)ethylamino]hexane-1,2,3,4,5-pentol?
The InChIKey is ICMCHJAROKSSNU-REWJHTLYSA-N. The full InChI is InChI=1S/C14H23NO6/c16-8-12(19)14(21)13(20)11(18)7-15-6-5-9-3-1-2-4-10(9)17/h1-4,11-21H,5-8H2/t11-,12+,13+,14+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-6-[2-(2-hydroxyphenyl)ethylamino]hexane-1,2,3,4,5-pentol?
(2R,3R,4R,5S)-6-[2-(2-hydroxyphenyl)ethylamino]hexane-1,2,3,4,5-pentol has a molecular weight of 301.34 g/mol, XLogP of -2.04, 9 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-6-[2-(2-hydroxyphenyl)ethylamino]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 25224465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).