(3R,4R)-2-aminooxolane-3,4-diol

C4H9NO3 — CID 139898598

IUPAC(3R,4R)-2-aminooxolane-3,4-diol
SMILESNC1OC[C@@H](O)[C@H]1O
InChIInChI=1S/C4H9NO3/c5-4-3(7)2(6)1-8-4/h2-4,6-7H,1,5H2/t2-,3-,4?/m1/s1
InChIKeyOSFCJXDOWPWRHM-HERZVMAMSA-N
MW119.12 g/mol
LogP-1.98
Rot. Bonds

About (3R,4R)-2-aminooxolane-3,4-diol

(3R,4R)-2-aminooxolane-3,4-diol (PubChem CID 139898598) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is (3R,4R)-2-aminooxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-2-aminooxolane-3,4-diol
PubChem CID139898598
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name(3R,4R)-2-aminooxolane-3,4-diol
SMILESNC1OC[C@@H](O)[C@H]1O
InChIInChI=1S/C4H9NO3/c5-4-3(7)2(6)1-8-4/h2-4,6-7H,1,5H2/t2-,3-,4?/m1/s1
InChIKeyOSFCJXDOWPWRHM-HERZVMAMSA-N
XLogP-1.98
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2-aminooxolane-3,4-diol?
The IUPAC name of (3R,4R)-2-aminooxolane-3,4-diol (CID 139898598) is (3R,4R)-2-aminooxolane-3,4-diol.
What is the SMILES notation for (3R,4R)-2-aminooxolane-3,4-diol?
The canonical SMILES for (3R,4R)-2-aminooxolane-3,4-diol is NC1OC[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4R)-2-aminooxolane-3,4-diol?
The InChIKey is OSFCJXDOWPWRHM-HERZVMAMSA-N. The full InChI is InChI=1S/C4H9NO3/c5-4-3(7)2(6)1-8-4/h2-4,6-7H,1,5H2/t2-,3-,4?/m1/s1.
What are the key properties of (3R,4R)-2-aminooxolane-3,4-diol?
(3R,4R)-2-aminooxolane-3,4-diol has a molecular weight of 119.12 g/mol, XLogP of -1.98, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2-aminooxolane-3,4-diol is sourced from PubChem (CID 139898598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).