(3S,4R)-4-aminooxolan-3-ol;hydrochloride

C4H10ClNO2 — CID 70031001

IUPAC(3S,4R)-4-aminooxolan-3-ol;hydrochloride
SMILESCl.N[C@@H]1COC[C@H]1O
InChIInChI=1S/C4H9NO2.ClH/c5-3-1-7-2-4(3)6;/h3-4,6H,1-2,5H2;1H/t3-,4-;/m1./s1
InChIKeyXFDDJSOAVIFVIH-VKKIDBQXSA-N
MW139.58 g/mol
LogP-0.87
Rot. Bonds

About (3S,4R)-4-aminooxolan-3-ol;hydrochloride

(3S,4R)-4-aminooxolan-3-ol;hydrochloride (PubChem CID 70031001) has the molecular formula C4H10ClNO2 and a molecular weight of 139.58 g/mol. Its IUPAC name is (3S,4R)-4-aminooxolan-3-ol;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-4-aminooxolan-3-ol;hydrochloride
PubChem CID70031001
Molecular FormulaC4H10ClNO2
Molecular Weight139.58 g/mol
Exact Mass139.04
IUPAC Name(3S,4R)-4-aminooxolan-3-ol;hydrochloride
SMILESCl.N[C@@H]1COC[C@H]1O
InChIInChI=1S/C4H9NO2.ClH/c5-3-1-7-2-4(3)6;/h3-4,6H,1-2,5H2;1H/t3-,4-;/m1./s1
InChIKeyXFDDJSOAVIFVIH-VKKIDBQXSA-N
XLogP-0.87
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.58
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-aminooxolan-3-ol;hydrochloride?
The IUPAC name of (3S,4R)-4-aminooxolan-3-ol;hydrochloride (CID 70031001) is (3S,4R)-4-aminooxolan-3-ol;hydrochloride.
What is the SMILES notation for (3S,4R)-4-aminooxolan-3-ol;hydrochloride?
The canonical SMILES for (3S,4R)-4-aminooxolan-3-ol;hydrochloride is Cl.N[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-aminooxolan-3-ol;hydrochloride?
The InChIKey is XFDDJSOAVIFVIH-VKKIDBQXSA-N. The full InChI is InChI=1S/C4H9NO2.ClH/c5-3-1-7-2-4(3)6;/h3-4,6H,1-2,5H2;1H/t3-,4-;/m1./s1.
What are the key properties of (3S,4R)-4-aminooxolan-3-ol;hydrochloride?
(3S,4R)-4-aminooxolan-3-ol;hydrochloride has a molecular weight of 139.58 g/mol, XLogP of -0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-aminooxolan-3-ol;hydrochloride is sourced from PubChem (CID 70031001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).