6-methoxyazepane-3,4,5-triol

C7H15NO4 — CID 18417377

IUPAC6-methoxyazepane-3,4,5-triol
SMILESCOC1CNCC(O)C(O)C1O
InChIInChI=1S/C7H15NO4/c1-12-5-3-8-2-4(9)6(10)7(5)11/h4-11H,2-3H2,1H3
InChIKeyGJLZBEMIPRVJIQ-UHFFFAOYSA-N
MW177.20 g/mol
LogP-2.31
Rot. Bonds1

About 6-methoxyazepane-3,4,5-triol

6-methoxyazepane-3,4,5-triol (PubChem CID 18417377) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 6-methoxyazepane-3,4,5-triol.

Molecular Properties

Compound Name6-methoxyazepane-3,4,5-triol
PubChem CID18417377
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name6-methoxyazepane-3,4,5-triol
SMILESCOC1CNCC(O)C(O)C1O
InChIInChI=1S/C7H15NO4/c1-12-5-3-8-2-4(9)6(10)7(5)11/h4-11H,2-3H2,1H3
InChIKeyGJLZBEMIPRVJIQ-UHFFFAOYSA-N
XLogP-2.31
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-2.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-4-methoxypyrrolidin-3-ol
CID 59034600
(3R,5R)-piperidine-3,4,5-triol
CID 10464382
4-methoxycyclohexane-1,2,3-triol
CID 54277163
piperidine-3,4,5-triol;hydrochloride
CID 73223230
(3R,4R)-4-propan-2-yloxypyrrolidin-3-ol
CID 67293919
(4S)-4-propan-2-yloxypyrrolidin-3-ol
CID 67293813
4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol
CID 103533926
(3R,4S,5R,6S)-6-methylazepane-3,4,5-triol;hydrochloride
CID 56950390
(3R,4S,5R,6R)-6-methylazepane-3,4,5-triol;hydrochloride
CID 56950388
3-fluoro-4-methoxypyrrolidine
CID 22603647
(3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol
CID 139845790
(3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride
CID 146675644

Frequently Asked Questions

What is the IUPAC name of 6-methoxyazepane-3,4,5-triol?
The IUPAC name of 6-methoxyazepane-3,4,5-triol (CID 18417377) is 6-methoxyazepane-3,4,5-triol.
What is the SMILES notation for 6-methoxyazepane-3,4,5-triol?
The canonical SMILES for 6-methoxyazepane-3,4,5-triol is COC1CNCC(O)C(O)C1O.
What is the InChIKey of 6-methoxyazepane-3,4,5-triol?
The InChIKey is GJLZBEMIPRVJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-12-5-3-8-2-4(9)6(10)7(5)11/h4-11H,2-3H2,1H3.
What are the key properties of 6-methoxyazepane-3,4,5-triol?
6-methoxyazepane-3,4,5-triol has a molecular weight of 177.20 g/mol, XLogP of -2.31, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyazepane-3,4,5-triol is sourced from PubChem (CID 18417377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).