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

C4H10ClNO2 — CID 75531083

IUPAC(3S,4S)-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+;/m0./s1
InChIKeyXFDDJSOAVIFVIH-RFKZQXLXSA-N
MW139.58 g/mol
LogP-0.87
Rot. Bonds

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

(3S,4S)-4-aminooxolan-3-ol;hydrochloride (PubChem CID 75531083) has the molecular formula C4H10ClNO2 and a molecular weight of 139.58 g/mol. Its IUPAC name is (3S,4S)-4-aminooxolan-3-ol;hydrochloride.

Molecular Properties

Compound Name(3S,4S)-4-aminooxolan-3-ol;hydrochloride
PubChem CID75531083
Molecular FormulaC4H10ClNO2
Molecular Weight139.58 g/mol
Exact Mass139.04
IUPAC Name(3S,4S)-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+;/m0./s1
InChIKeyXFDDJSOAVIFVIH-RFKZQXLXSA-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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Related Compounds

Trans-4-Amino-Tetrahydro-Furan-3-Ol
CID 9793712
rac-(3R,4S)-4-aminooxolan-3-ol
CID 11768516
4-Aminotetrahydrofuran-3-ol hydrochloride
CID 22476525
(3R,4R)-4-Aminooxolan-3-ol
CID 33746102
(3R,4S)-4-aminooxolan-3-ol hydrochloride
CID 69151115
(3S,4R)-4-aminooxolan-3-ol hydrochloride
CID 70031001
rac-(3R,4R)-4-methoxyoxolan-3-amine hydrochloride
CID 75531170
rac-(3R,4R)-4-aminooxolan-3-ol hydrochloride
CID 86767641
(3S,4R)-4-(methylamino)oxolan-3-ol
CID 89143979
(2R,3S,4R)-4-amino-2-(hydroxymethyl)oxolan-3-ol
CID 21677543
4-Amino-2-(hydroxymethyl)oxolan-3-ol
CID 73823035
[(2S,3R,5S)-3-amino-5-tritiooxolan-2-yl]methanol
CID 134865899

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-aminooxolan-3-ol;hydrochloride?
The IUPAC name of (3S,4S)-4-aminooxolan-3-ol;hydrochloride (CID 75531083) is (3S,4S)-4-aminooxolan-3-ol;hydrochloride.
What is the SMILES notation for (3S,4S)-4-aminooxolan-3-ol;hydrochloride?
The canonical SMILES for (3S,4S)-4-aminooxolan-3-ol;hydrochloride is Cl.N[C@H]1COC[C@H]1O.
What is the InChIKey of (3S,4S)-4-aminooxolan-3-ol;hydrochloride?
The InChIKey is XFDDJSOAVIFVIH-RFKZQXLXSA-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+;/m0./s1.
What are the key properties of (3S,4S)-4-aminooxolan-3-ol;hydrochloride?
(3S,4S)-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,4S)-4-aminooxolan-3-ol;hydrochloride is sourced from PubChem (CID 75531083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).