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

C5H11NO4 — CID 55285017

IUPAC(3S,4S,5R)-2-aminooxane-3,4,5-triol
SMILESNC1OC[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H11NO4/c6-5-4(9)3(8)2(7)1-10-5/h2-5,7-9H,1,6H2/t2-,3+,4+,5?/m1/s1
InChIKeyRQBSUMJKSOSGJJ-AGQMPKSLSA-N
MW149.15 g/mol
LogP-2.62
Rot. Bonds

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

(3S,4S,5R)-2-aminooxane-3,4,5-triol (PubChem CID 55285017) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is (3S,4S,5R)-2-aminooxane-3,4,5-triol.

Molecular Properties

Compound Name(3S,4S,5R)-2-aminooxane-3,4,5-triol
PubChem CID55285017
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name(3S,4S,5R)-2-aminooxane-3,4,5-triol
SMILESNC1OC[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H11NO4/c6-5-4(9)3(8)2(7)1-10-5/h2-5,7-9H,1,6H2/t2-,3+,4+,5?/m1/s1
InChIKeyRQBSUMJKSOSGJJ-AGQMPKSLSA-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 (3S,4S,5R)-2-aminooxane-3,4,5-triol?
The IUPAC name of (3S,4S,5R)-2-aminooxane-3,4,5-triol (CID 55285017) is (3S,4S,5R)-2-aminooxane-3,4,5-triol.
What is the SMILES notation for (3S,4S,5R)-2-aminooxane-3,4,5-triol?
The canonical SMILES for (3S,4S,5R)-2-aminooxane-3,4,5-triol is NC1OC[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S,5R)-2-aminooxane-3,4,5-triol?
The InChIKey is RQBSUMJKSOSGJJ-AGQMPKSLSA-N. The full InChI is InChI=1S/C5H11NO4/c6-5-4(9)3(8)2(7)1-10-5/h2-5,7-9H,1,6H2/t2-,3+,4+,5?/m1/s1.
What are the key properties of (3S,4S,5R)-2-aminooxane-3,4,5-triol?
(3S,4S,5R)-2-aminooxane-3,4,5-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 (3S,4S,5R)-2-aminooxane-3,4,5-triol is sourced from PubChem (CID 55285017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).