(2S,3S,4S,5R)-3-aminooxane-2,4,5-triol

C5H11NO4 — CID 130792637

IUPAC(2S,3S,4S,5R)-3-aminooxane-2,4,5-triol
SMILESN[C@H]1[C@H](O)[C@H](O)CO[C@@H]1O
InChIInChI=1S/C5H11NO4/c6-3-4(8)2(7)1-10-5(3)9/h2-5,7-9H,1,6H2/t2-,3+,4-,5+/m1/s1
InChIKeyFXFCWLXDQUYZSE-LECHCGJUSA-N
MW149.15 g/mol
LogP-2.62
Rot. Bonds

About (2S,3S,4S,5R)-3-aminooxane-2,4,5-triol

(2S,3S,4S,5R)-3-aminooxane-2,4,5-triol (PubChem CID 130792637) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is (2S,3S,4S,5R)-3-aminooxane-2,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-3-aminooxane-2,4,5-triol
PubChem CID130792637
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name(2S,3S,4S,5R)-3-aminooxane-2,4,5-triol
SMILESN[C@H]1[C@H](O)[C@H](O)CO[C@@H]1O
InChIInChI=1S/C5H11NO4/c6-3-4(8)2(7)1-10-5(3)9/h2-5,7-9H,1,6H2/t2-,3+,4-,5+/m1/s1
InChIKeyFXFCWLXDQUYZSE-LECHCGJUSA-N
XLogP-2.62
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-2.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-3-aminooxane-2,4,5-triol?
The IUPAC name of (2S,3S,4S,5R)-3-aminooxane-2,4,5-triol (CID 130792637) is (2S,3S,4S,5R)-3-aminooxane-2,4,5-triol.
What is the SMILES notation for (2S,3S,4S,5R)-3-aminooxane-2,4,5-triol?
The canonical SMILES for (2S,3S,4S,5R)-3-aminooxane-2,4,5-triol is N[C@H]1[C@H](O)[C@H](O)CO[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5R)-3-aminooxane-2,4,5-triol?
The InChIKey is FXFCWLXDQUYZSE-LECHCGJUSA-N. The full InChI is InChI=1S/C5H11NO4/c6-3-4(8)2(7)1-10-5(3)9/h2-5,7-9H,1,6H2/t2-,3+,4-,5+/m1/s1.
What are the key properties of (2S,3S,4S,5R)-3-aminooxane-2,4,5-triol?
(2S,3S,4S,5R)-3-aminooxane-2,4,5-triol has a molecular weight of 149.15 g/mol, XLogP of -2.62, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-3-aminooxane-2,4,5-triol is sourced from PubChem (CID 130792637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).