3,4,5-triaminooxolan-2-ol

C4H11N3O2 — CID 163447775

IUPAC3,4,5-triaminooxolan-2-ol
SMILESNC1OC(O)C(N)C1N
InChIInChI=1S/C4H11N3O2/c5-1-2(6)4(8)9-3(1)7/h1-4,8H,5-7H2
InChIKeyBDYUURJKFFHBQH-UHFFFAOYSA-N
MW133.15 g/mol
LogP-2.73
Rot. Bonds

About 3,4,5-triaminooxolan-2-ol

3,4,5-triaminooxolan-2-ol (PubChem CID 163447775) has the molecular formula C4H11N3O2 and a molecular weight of 133.15 g/mol. Its IUPAC name is 3,4,5-triaminooxolan-2-ol.

Molecular Properties

Compound Name3,4,5-triaminooxolan-2-ol
PubChem CID163447775
Molecular FormulaC4H11N3O2
Molecular Weight133.15 g/mol
Exact Mass133.09
IUPAC Name3,4,5-triaminooxolan-2-ol
SMILESNC1OC(O)C(N)C1N
InChIInChI=1S/C4H11N3O2/c5-1-2(6)4(8)9-3(1)7/h1-4,8H,5-7H2
InChIKeyBDYUURJKFFHBQH-UHFFFAOYSA-N
XLogP-2.73
TPSA107.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-2.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4S,5R,6S)-6-aminooxane-2,3,4,5-tetrol
CID 134274851
5-amino-3-(methylamino)oxolane-2,4-diol
CID 123760339
(2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol
CID 55288704
(5S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67457513
(2R,3R,4S,5R,6S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7568496
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3S,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 162091299
(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58456000
(2S,3R,4S,5R,6S)-3-amino-6-(aminomethyl)oxane-2,4,5-triol
CID 125028687
(2S,3R,4S,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 6551011
actinium;(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58582833
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;sulfane
CID 174539806
(2S,3R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrochloride
CID 159661735

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triaminooxolan-2-ol?
The IUPAC name of 3,4,5-triaminooxolan-2-ol (CID 163447775) is 3,4,5-triaminooxolan-2-ol.
What is the SMILES notation for 3,4,5-triaminooxolan-2-ol?
The canonical SMILES for 3,4,5-triaminooxolan-2-ol is NC1OC(O)C(N)C1N.
What is the InChIKey of 3,4,5-triaminooxolan-2-ol?
The InChIKey is BDYUURJKFFHBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O2/c5-1-2(6)4(8)9-3(1)7/h1-4,8H,5-7H2.
What are the key properties of 3,4,5-triaminooxolan-2-ol?
3,4,5-triaminooxolan-2-ol has a molecular weight of 133.15 g/mol, XLogP of -2.73, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triaminooxolan-2-ol is sourced from PubChem (CID 163447775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).