(3S,4R,5R)-3,4,5,6-tetrahydroxy-1-(methylamino)hexan-2-one

C7H15NO5 — CID 14806557

IUPAC(3S,4R,5R)-3,4,5,6-tetrahydroxy-1-(methylamino)hexan-2-one
SMILESCNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H15NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h5-9,11-13H,2-3H2,1H3/t5-,6-,7-/m1/s1
InChIKeyKJPUOMSDQAYQLZ-FSDSQADBSA-N
MW193.20 g/mol
LogP-3.15
Rot. Bonds6

About (3S,4R,5R)-3,4,5,6-tetrahydroxy-1-(methylamino)hexan-2-one

(3S,4R,5R)-3,4,5,6-tetrahydroxy-1-(methylamino)hexan-2-one (PubChem CID 14806557) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is (3S,4R,5R)-3,4,5,6-tetrahydroxy-1-(methylamino)hexan-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-3,4,5,6-tetrahydroxy-1-(methylamino)hexan-2-one
PubChem CID14806557
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name(3S,4R,5R)-3,4,5,6-tetrahydroxy-1-(methylamino)hexan-2-one
SMILESCNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H15NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h5-9,11-13H,2-3H2,1H3/t5-,6-,7-/m1/s1
InChIKeyKJPUOMSDQAYQLZ-FSDSQADBSA-N
XLogP-3.15
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-3.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (3S,4R,5R)-3,4,5,6-tetrahydroxy-1-(methylamino)hexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3,4,5,6-tetrahydroxy-1-(methylamino)hexan-2-one?
The IUPAC name of (3S,4R,5R)-3,4,5,6-tetrahydroxy-1-(methylamino)hexan-2-one (CID 14806557) is (3S,4R,5R)-3,4,5,6-tetrahydroxy-1-(methylamino)hexan-2-one.
What is the SMILES notation for (3S,4R,5R)-3,4,5,6-tetrahydroxy-1-(methylamino)hexan-2-one?
The canonical SMILES for (3S,4R,5R)-3,4,5,6-tetrahydroxy-1-(methylamino)hexan-2-one is CNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (3S,4R,5R)-3,4,5,6-tetrahydroxy-1-(methylamino)hexan-2-one?
The InChIKey is KJPUOMSDQAYQLZ-FSDSQADBSA-N. The full InChI is InChI=1S/C7H15NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h5-9,11-13H,2-3H2,1H3/t5-,6-,7-/m1/s1.
What are the key properties of (3S,4R,5R)-3,4,5,6-tetrahydroxy-1-(methylamino)hexan-2-one?
(3S,4R,5R)-3,4,5,6-tetrahydroxy-1-(methylamino)hexan-2-one has a molecular weight of 193.20 g/mol, XLogP of -3.15, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3,4,5,6-tetrahydroxy-1-(methylamino)hexan-2-one is sourced from PubChem (CID 14806557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).