(2R,4R,5S)-5-amino-2,4,6-trihydroxy-1-methoxyhexan-3-one

C7H15NO5 — CID 54374822

IUPAC(2R,4R,5S)-5-amino-2,4,6-trihydroxy-1-methoxyhexan-3-one
SMILESCOC[C@@H](O)C(=O)[C@H](O)[C@@H](N)CO
InChIInChI=1S/C7H15NO5/c1-13-3-5(10)7(12)6(11)4(8)2-9/h4-6,9-11H,2-3,8H2,1H3/t4-,5+,6+/m0/s1
InChIKeyUVTGFIUCWVNDGW-KVQBGUIXSA-N
MW193.20 g/mol
LogP-2.76
Rot. Bonds6

About (2R,4R,5S)-5-amino-2,4,6-trihydroxy-1-methoxyhexan-3-one

(2R,4R,5S)-5-amino-2,4,6-trihydroxy-1-methoxyhexan-3-one (PubChem CID 54374822) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is (2R,4R,5S)-5-amino-2,4,6-trihydroxy-1-methoxyhexan-3-one.

Molecular Properties

Compound Name(2R,4R,5S)-5-amino-2,4,6-trihydroxy-1-methoxyhexan-3-one
PubChem CID54374822
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name(2R,4R,5S)-5-amino-2,4,6-trihydroxy-1-methoxyhexan-3-one
SMILESCOC[C@@H](O)C(=O)[C@H](O)[C@@H](N)CO
InChIInChI=1S/C7H15NO5/c1-13-3-5(10)7(12)6(11)4(8)2-9/h4-6,9-11H,2-3,8H2,1H3/t4-,5+,6+/m0/s1
InChIKeyUVTGFIUCWVNDGW-KVQBGUIXSA-N
XLogP-2.76
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-2.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,4R,5S)-5-amino-2,4,6-trihydroxy-1-methoxyhexan-3-one with MolForge

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

Launch Full Analysis

Related Compounds

5-amino-2,4,6-trihydroxyhexan-3-one
CID 150230549
3-amino-2,4-dihydroxybutanoic acid
CID 14888070
(2S,4R,5R)-2-amino-1,5-dihydroxy-4,6-dimethoxyhexan-3-one
CID 54235529
lithium 2-hydroxy-3-methoxypropanoate
CID 59108825
3-amino-4-methoxy-2-methylsulfanylbutan-1-ol
CID 114370505
(1S,2S)-2-amino-1-methoxypropane-1,3-diol
CID 174342165
acetic acid;3-methoxypropane-1,2-diol
CID 71422269
(2S,3S)-1,4-dimethoxybutane-2,3-diamine
CID 11051828
methyl 3-(3-amino-1-hydroxy-4-methoxybutan-2-yl)sulfanylpropanoate
CID 114369912
1,2-dimethoxyethane;propane-1,2-diol
CID 87359366
methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627
methanol;methyl 2,3-dihydroxypropanoate
CID 174804143

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-5-amino-2,4,6-trihydroxy-1-methoxyhexan-3-one?
The IUPAC name of (2R,4R,5S)-5-amino-2,4,6-trihydroxy-1-methoxyhexan-3-one (CID 54374822) is (2R,4R,5S)-5-amino-2,4,6-trihydroxy-1-methoxyhexan-3-one.
What is the SMILES notation for (2R,4R,5S)-5-amino-2,4,6-trihydroxy-1-methoxyhexan-3-one?
The canonical SMILES for (2R,4R,5S)-5-amino-2,4,6-trihydroxy-1-methoxyhexan-3-one is COC[C@@H](O)C(=O)[C@H](O)[C@@H](N)CO.
What is the InChIKey of (2R,4R,5S)-5-amino-2,4,6-trihydroxy-1-methoxyhexan-3-one?
The InChIKey is UVTGFIUCWVNDGW-KVQBGUIXSA-N. The full InChI is InChI=1S/C7H15NO5/c1-13-3-5(10)7(12)6(11)4(8)2-9/h4-6,9-11H,2-3,8H2,1H3/t4-,5+,6+/m0/s1.
What are the key properties of (2R,4R,5S)-5-amino-2,4,6-trihydroxy-1-methoxyhexan-3-one?
(2R,4R,5S)-5-amino-2,4,6-trihydroxy-1-methoxyhexan-3-one has a molecular weight of 193.20 g/mol, XLogP of -2.76, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-5-amino-2,4,6-trihydroxy-1-methoxyhexan-3-one is sourced from PubChem (CID 54374822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).