(2R,3R,4R,5S)-4-(methylamino)oxane-2,3,5-triol

C6H13NO4 — CID 162991407

IUPAC(2R,3R,4R,5S)-4-(methylamino)oxane-2,3,5-triol
SMILESCN[C@H]1[C@@H](O)[C@H](O)OC[C@H]1O
InChIInChI=1S/C6H13NO4/c1-7-4-3(8)2-11-6(10)5(4)9/h3-10H,2H2,1H3/t3-,4-,5-,6-/m1/s1
InChIKeyYSDIXHRPVIRGDL-KVTDHHQDSA-N
MW163.17 g/mol
LogP-2.36
Rot. Bonds1

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

(2R,3R,4R,5S)-4-(methylamino)oxane-2,3,5-triol (PubChem CID 162991407) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is (2R,3R,4R,5S)-4-(methylamino)oxane-2,3,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-4-(methylamino)oxane-2,3,5-triol
PubChem CID162991407
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(2R,3R,4R,5S)-4-(methylamino)oxane-2,3,5-triol
SMILESCN[C@H]1[C@@H](O)[C@H](O)OC[C@H]1O
InChIInChI=1S/C6H13NO4/c1-7-4-3(8)2-11-6(10)5(4)9/h3-10H,2H2,1H3/t3-,4-,5-,6-/m1/s1
InChIKeyYSDIXHRPVIRGDL-KVTDHHQDSA-N
XLogP-2.36
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-2.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-4-(methylamino)oxane-2,3,5-triol?
The IUPAC name of (2R,3R,4R,5S)-4-(methylamino)oxane-2,3,5-triol (CID 162991407) is (2R,3R,4R,5S)-4-(methylamino)oxane-2,3,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-4-(methylamino)oxane-2,3,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-4-(methylamino)oxane-2,3,5-triol is CN[C@H]1[C@@H](O)[C@H](O)OC[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-4-(methylamino)oxane-2,3,5-triol?
The InChIKey is YSDIXHRPVIRGDL-KVTDHHQDSA-N. The full InChI is InChI=1S/C6H13NO4/c1-7-4-3(8)2-11-6(10)5(4)9/h3-10H,2H2,1H3/t3-,4-,5-,6-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-4-(methylamino)oxane-2,3,5-triol?
(2R,3R,4R,5S)-4-(methylamino)oxane-2,3,5-triol has a molecular weight of 163.17 g/mol, XLogP of -2.36, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-4-(methylamino)oxane-2,3,5-triol is sourced from PubChem (CID 162991407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).