(3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol

C7H15NO3 — CID 10997956

IUPAC(3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol
SMILESOC[C@@H]1CNC[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C7H15NO3/c9-4-5-1-6(10)7(11)3-8-2-5/h5-11H,1-4H2/t5-,6-,7+/m0/s1
InChIKeySNNXMJBVKDEAAY-LYFYHCNISA-N
MW161.20 g/mol
LogP-1.69
Rot. Bonds1

About (3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol

(3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol (PubChem CID 10997956) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol
PubChem CID10997956
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol
SMILESOC[C@@H]1CNC[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C7H15NO3/c9-4-5-1-6(10)7(11)3-8-2-5/h5-11H,1-4H2/t5-,6-,7+/m0/s1
InChIKeySNNXMJBVKDEAAY-LYFYHCNISA-N
XLogP-1.69
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-5-(hydroxymethyl)piperidin-3-ol
CID 55287998
(3S)-5-(hydroxymethyl)piperidin-3-ol
CID 59011067
ethane;5-(hydroxymethyl)piperidin-3-ol
CID 143590323
[(3R,5S)-5-fluoropiperidin-3-yl]methanol
CID 96532394
(5-methoxypiperidin-3-yl)methanol
CID 166104648
[(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride
CID 166104604
6-(hydroxymethyl)azepan-4-ol
CID 164538726
1,4,7-triazecan-9-ylmethanol
CID 102398679
(5-cyclohexylpiperidin-3-yl)methanol
CID 83915896
(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 121229170
[(1R,5S)-3-azabicyclo[3.3.1]nonan-7-yl]methanol;hydrochloride
CID 155978315
(3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
CID 159190224

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol?
The IUPAC name of (3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol (CID 10997956) is (3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol.
What is the SMILES notation for (3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol?
The canonical SMILES for (3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol is OC[C@@H]1CNC[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol?
The InChIKey is SNNXMJBVKDEAAY-LYFYHCNISA-N. The full InChI is InChI=1S/C7H15NO3/c9-4-5-1-6(10)7(11)3-8-2-5/h5-11H,1-4H2/t5-,6-,7+/m0/s1.
What are the key properties of (3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol?
(3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol has a molecular weight of 161.20 g/mol, XLogP of -1.69, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol is sourced from PubChem (CID 10997956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).