rac-(3R,4R)-4-aminooxolan-3-ol hydrochloride

C4H10ClNO2 — CID 86767641

IUPAC(3R,4R)-4-aminooxolan-3-ol;hydrochloride
SMILESC1[C@H]([C@H](CO1)O)N.Cl
InChIInChI=1S/C4H9NO2.ClH/c5-3-1-7-2-4(3)6;/h3-4,6H,1-2,5H2;1H/t3-,4+;/m1./s1
InChIKeyXFDDJSOAVIFVIH-HJXLNUONSA-N
MW139.58 g/mol
LogP—
Rot. Bonds

About rac-(3R,4R)-4-aminooxolan-3-ol hydrochloride

rac-(3R,4R)-4-aminooxolan-3-ol hydrochloride (PubChem CID 86767641) has the molecular formula C4H10ClNO2 and a molecular weight of 139.58 g/mol. Its IUPAC name is (3R,4R)-4-aminooxolan-3-ol;hydrochloride.

Molecular Properties

Compound Namerac-(3R,4R)-4-aminooxolan-3-ol hydrochloride
PubChem CID86767641
Molecular FormulaC4H10ClNO2
Molecular Weight139.58 g/mol
Exact Mass139.04
IUPAC Name(3R,4R)-4-aminooxolan-3-ol;hydrochloride
SMILESC1[C@H]([C@H](CO1)O)N.Cl
InChIInChI=1S/C4H9NO2.ClH/c5-3-1-7-2-4(3)6;/h3-4,6H,1-2,5H2;1H/t3-,4+;/m1./s1
InChIKeyXFDDJSOAVIFVIH-HJXLNUONSA-N
XLogP—
TPSA55.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity66

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of rac-(3R,4R)-4-aminooxolan-3-ol hydrochloride?
The IUPAC name of rac-(3R,4R)-4-aminooxolan-3-ol hydrochloride (CID 86767641) is (3R,4R)-4-aminooxolan-3-ol;hydrochloride.
What is the SMILES notation for rac-(3R,4R)-4-aminooxolan-3-ol hydrochloride?
The canonical SMILES for rac-(3R,4R)-4-aminooxolan-3-ol hydrochloride is C1[C@H]([C@H](CO1)O)N.Cl.
What is the InChIKey of rac-(3R,4R)-4-aminooxolan-3-ol hydrochloride?
The InChIKey is XFDDJSOAVIFVIH-HJXLNUONSA-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 rac-(3R,4R)-4-aminooxolan-3-ol hydrochloride?
rac-(3R,4R)-4-aminooxolan-3-ol hydrochloride has a molecular weight of 139.58 g/mol, XLogP of not available, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for rac-(3R,4R)-4-aminooxolan-3-ol hydrochloride is sourced from PubChem (CID 86767641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).