(2R,3R,4R,5R)-1,6-diaminooxyhexane-2,3,4,5-tetrol

C6H16N2O6 — CID 89395567

IUPAC(2R,3R,4R,5R)-1,6-diaminooxyhexane-2,3,4,5-tetrol
SMILESNOC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CON
InChIInChI=1S/C6H16N2O6/c7-13-1-3(9)5(11)6(12)4(10)2-14-8/h3-6,9-12H,1-2,7-8H2/t3-,4-,5-,6-/m1/s1
InChIKeyIJQKXISEIRPINC-KVTDHHQDSA-N
MW212.20 g/mol
LogP-3.79
Rot. Bonds7

About (2R,3R,4R,5R)-1,6-diaminooxyhexane-2,3,4,5-tetrol

(2R,3R,4R,5R)-1,6-diaminooxyhexane-2,3,4,5-tetrol (PubChem CID 89395567) has the molecular formula C6H16N2O6 and a molecular weight of 212.20 g/mol. Its IUPAC name is (2R,3R,4R,5R)-1,6-diaminooxyhexane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-1,6-diaminooxyhexane-2,3,4,5-tetrol
PubChem CID89395567
Molecular FormulaC6H16N2O6
Molecular Weight212.20 g/mol
Exact Mass212.10
IUPAC Name(2R,3R,4R,5R)-1,6-diaminooxyhexane-2,3,4,5-tetrol
SMILESNOC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CON
InChIInChI=1S/C6H16N2O6/c7-13-1-3(9)5(11)6(12)4(10)2-14-8/h3-6,9-12H,1-2,7-8H2/t3-,4-,5-,6-/m1/s1
InChIKeyIJQKXISEIRPINC-KVTDHHQDSA-N
XLogP-3.79
TPSA151.42 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.20
LogP ≤ 5-3.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,6-diaminooxy-2,4,5-trihydroxyhexanoic acid
CID 87229005
1-aminooxy-3,3-dimethylbutan-2-ol
CID 21111532
[(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate
CID 102116245
N-[(2R,3R,4R,5R)-6-aminooxy-2,3,4,5-tetrahydroxyhexyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 90296829
(2S)-1-aminooxy-3-chloropropan-2-ol
CID 129235257
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
2-aminooxy-1-cyclopropylethanol
CID 22286083
(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol
CID 18653298
[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate
CID 54465409
[(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-(3-sulfanylpropanoyloxy)hexyl] 3-sulfanylpropanoate
CID 21118791
magnesium;hydride;[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen carbonate
CID 173053155
(6-amino-2,3,4,5-tetrahydroxyhexyl) hydrogen sulfate
CID 175220231

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-1,6-diaminooxyhexane-2,3,4,5-tetrol?
The IUPAC name of (2R,3R,4R,5R)-1,6-diaminooxyhexane-2,3,4,5-tetrol (CID 89395567) is (2R,3R,4R,5R)-1,6-diaminooxyhexane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4R,5R)-1,6-diaminooxyhexane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4R,5R)-1,6-diaminooxyhexane-2,3,4,5-tetrol is NOC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CON.
What is the InChIKey of (2R,3R,4R,5R)-1,6-diaminooxyhexane-2,3,4,5-tetrol?
The InChIKey is IJQKXISEIRPINC-KVTDHHQDSA-N. The full InChI is InChI=1S/C6H16N2O6/c7-13-1-3(9)5(11)6(12)4(10)2-14-8/h3-6,9-12H,1-2,7-8H2/t3-,4-,5-,6-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-1,6-diaminooxyhexane-2,3,4,5-tetrol?
(2R,3R,4R,5R)-1,6-diaminooxyhexane-2,3,4,5-tetrol has a molecular weight of 212.20 g/mol, XLogP of -3.79, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-1,6-diaminooxyhexane-2,3,4,5-tetrol is sourced from PubChem (CID 89395567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).