(2R,3R,4R)-2-[(1S)-1-amino-2-hydroxyethyl]oxolane-3,4-diol

C6H13NO4 — CID 134996078

IUPAC(2R,3R,4R)-2-[(1S)-1-amino-2-hydroxyethyl]oxolane-3,4-diol
SMILESN[C@@H](CO)[C@H]1OC[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13NO4/c7-3(1-8)6-5(10)4(9)2-11-6/h3-6,8-10H,1-2,7H2/t3-,4+,5+,6+/m0/s1
InChIKeyXZIACKIJTAGHEO-SLPGGIOYSA-N
MW163.17 g/mol
LogP-2.57
Rot. Bonds2

About (2R,3R,4R)-2-[(1S)-1-amino-2-hydroxyethyl]oxolane-3,4-diol

(2R,3R,4R)-2-[(1S)-1-amino-2-hydroxyethyl]oxolane-3,4-diol (PubChem CID 134996078) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is (2R,3R,4R)-2-[(1S)-1-amino-2-hydroxyethyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2-[(1S)-1-amino-2-hydroxyethyl]oxolane-3,4-diol
PubChem CID134996078
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(2R,3R,4R)-2-[(1S)-1-amino-2-hydroxyethyl]oxolane-3,4-diol
SMILESN[C@@H](CO)[C@H]1OC[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13NO4/c7-3(1-8)6-5(10)4(9)2-11-6/h3-6,8-10H,1-2,7H2/t3-,4+,5+,6+/m0/s1
InChIKeyXZIACKIJTAGHEO-SLPGGIOYSA-N
XLogP-2.57
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-2.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-[(1S)-1-amino-2-hydroxyethyl]oxolane-3,4-diol?
The IUPAC name of (2R,3R,4R)-2-[(1S)-1-amino-2-hydroxyethyl]oxolane-3,4-diol (CID 134996078) is (2R,3R,4R)-2-[(1S)-1-amino-2-hydroxyethyl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2-[(1S)-1-amino-2-hydroxyethyl]oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2-[(1S)-1-amino-2-hydroxyethyl]oxolane-3,4-diol is N[C@@H](CO)[C@H]1OC[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R)-2-[(1S)-1-amino-2-hydroxyethyl]oxolane-3,4-diol?
The InChIKey is XZIACKIJTAGHEO-SLPGGIOYSA-N. The full InChI is InChI=1S/C6H13NO4/c7-3(1-8)6-5(10)4(9)2-11-6/h3-6,8-10H,1-2,7H2/t3-,4+,5+,6+/m0/s1.
What are the key properties of (2R,3R,4R)-2-[(1S)-1-amino-2-hydroxyethyl]oxolane-3,4-diol?
(2R,3R,4R)-2-[(1S)-1-amino-2-hydroxyethyl]oxolane-3,4-diol has a molecular weight of 163.17 g/mol, XLogP of -2.57, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-[(1S)-1-amino-2-hydroxyethyl]oxolane-3,4-diol is sourced from PubChem (CID 134996078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).