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

C5H11NO4 — CID 91466751

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

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

(2S,3S,4R,5R)-5-aminooxane-2,3,4-triol (PubChem CID 91466751) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is (2S,3S,4R,5R)-5-aminooxane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-5-aminooxane-2,3,4-triol
PubChem CID91466751
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name(2S,3S,4R,5R)-5-aminooxane-2,3,4-triol
SMILESN[C@@H]1CO[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H11NO4/c6-2-1-10-5(9)4(8)3(2)7/h2-5,7-9H,1,6H2/t2-,3-,4+,5+/m1/s1
InChIKeyOEVMNXDFKAZCIM-MBMOQRBOSA-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,4R,5R)-5-aminooxane-2,3,4-triol?
The IUPAC name of (2S,3S,4R,5R)-5-aminooxane-2,3,4-triol (CID 91466751) is (2S,3S,4R,5R)-5-aminooxane-2,3,4-triol.
What is the SMILES notation for (2S,3S,4R,5R)-5-aminooxane-2,3,4-triol?
The canonical SMILES for (2S,3S,4R,5R)-5-aminooxane-2,3,4-triol is N[C@@H]1CO[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-5-aminooxane-2,3,4-triol?
The InChIKey is OEVMNXDFKAZCIM-MBMOQRBOSA-N. The full InChI is InChI=1S/C5H11NO4/c6-2-1-10-5(9)4(8)3(2)7/h2-5,7-9H,1,6H2/t2-,3-,4+,5+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-5-aminooxane-2,3,4-triol?
(2S,3S,4R,5R)-5-aminooxane-2,3,4-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,4R,5R)-5-aminooxane-2,3,4-triol is sourced from PubChem (CID 91466751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).