hydron;(2R,3R,4R,5S)-6-(methylaminooxy)hexane-1,2,3,4,5-pentol

C7H19NO6+2 — CID 90358888

IUPAChydron;(2R,3R,4R,5S)-6-(methylaminooxy)hexane-1,2,3,4,5-pentol
SMILESCNOC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H+].[H+]
InChIInChI=1S/C7H17NO6/c1-8-14-3-5(11)7(13)6(12)4(10)2-9/h4-13H,2-3H2,1H3/p+2/t4-,5+,6-,7-/m1/s1
InChIKeyHQEQWDJZDJYUQA-XZBKPIIZSA-P
MW213.23 g/mol
LogP-3.20
Rot. Bonds7

About hydron;(2R,3R,4R,5S)-6-(methylaminooxy)hexane-1,2,3,4,5-pentol

hydron;(2R,3R,4R,5S)-6-(methylaminooxy)hexane-1,2,3,4,5-pentol (PubChem CID 90358888) has the molecular formula C7H19NO6+2 and a molecular weight of 213.23 g/mol. Its IUPAC name is hydron;(2R,3R,4R,5S)-6-(methylaminooxy)hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Namehydron;(2R,3R,4R,5S)-6-(methylaminooxy)hexane-1,2,3,4,5-pentol
PubChem CID90358888
Molecular FormulaC7H19NO6+2
Molecular Weight213.23 g/mol
Exact Mass213.12
IUPAC Namehydron;(2R,3R,4R,5S)-6-(methylaminooxy)hexane-1,2,3,4,5-pentol
SMILESCNOC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H+].[H+]
InChIInChI=1S/C7H17NO6/c1-8-14-3-5(11)7(13)6(12)4(10)2-9/h4-13H,2-3H2,1H3/p+2/t4-,5+,6-,7-/m1/s1
InChIKeyHQEQWDJZDJYUQA-XZBKPIIZSA-P
XLogP-3.20
TPSA122.41 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500213.23
LogP ≤ 5-3.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol
CID 18653298
(2S,3R,4R,5R)-6-(deuteriomethoxy)hexane-1,2,3,4,5-pentol
CID 140946024
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 89253185
(2R,3S,4S,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 12598089
(2R,3R,4R,5R)-6-[(2-methylpropan-2-yl)oxy]hexane-1,2,3,4,5-pentol
CID 170654409
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650

Frequently Asked Questions

What is the IUPAC name of hydron;(2R,3R,4R,5S)-6-(methylaminooxy)hexane-1,2,3,4,5-pentol?
The IUPAC name of hydron;(2R,3R,4R,5S)-6-(methylaminooxy)hexane-1,2,3,4,5-pentol (CID 90358888) is hydron;(2R,3R,4R,5S)-6-(methylaminooxy)hexane-1,2,3,4,5-pentol.
What is the SMILES notation for hydron;(2R,3R,4R,5S)-6-(methylaminooxy)hexane-1,2,3,4,5-pentol?
The canonical SMILES for hydron;(2R,3R,4R,5S)-6-(methylaminooxy)hexane-1,2,3,4,5-pentol is CNOC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H+].[H+].
What is the InChIKey of hydron;(2R,3R,4R,5S)-6-(methylaminooxy)hexane-1,2,3,4,5-pentol?
The InChIKey is HQEQWDJZDJYUQA-XZBKPIIZSA-P. The full InChI is InChI=1S/C7H17NO6/c1-8-14-3-5(11)7(13)6(12)4(10)2-9/h4-13H,2-3H2,1H3/p+2/t4-,5+,6-,7-/m1/s1.
What are the key properties of hydron;(2R,3R,4R,5S)-6-(methylaminooxy)hexane-1,2,3,4,5-pentol?
hydron;(2R,3R,4R,5S)-6-(methylaminooxy)hexane-1,2,3,4,5-pentol has a molecular weight of 213.23 g/mol, XLogP of -3.20, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;(2R,3R,4R,5S)-6-(methylaminooxy)hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 90358888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).