(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(methylamino)oxane-2-carboxylic acid

C7H13NO6 — CID 152796008

IUPAC(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(methylamino)oxane-2-carboxylic acid
SMILESCNC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H13NO6/c1-8-6-4(11)2(9)3(10)5(14-6)7(12)13/h2-6,8-11H,1H3,(H,12,13)/t2-,3-,4+,5-,6?/m0/s1
InChIKeySLWNHYFVDHUTMI-ZZWDRFIYSA-N
MW207.18 g/mol
LogP-2.90
Rot. Bonds2

About (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(methylamino)oxane-2-carboxylic acid

(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(methylamino)oxane-2-carboxylic acid (PubChem CID 152796008) has the molecular formula C7H13NO6 and a molecular weight of 207.18 g/mol. Its IUPAC name is (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(methylamino)oxane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(methylamino)oxane-2-carboxylic acid
PubChem CID152796008
Molecular FormulaC7H13NO6
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Name(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(methylamino)oxane-2-carboxylic acid
SMILESCNC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H13NO6/c1-8-6-4(11)2(9)3(10)5(14-6)7(12)13/h2-6,8-11H,1H3,(H,12,13)/t2-,3-,4+,5-,6?/m0/s1
InChIKeySLWNHYFVDHUTMI-ZZWDRFIYSA-N
XLogP-2.90
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 5-2.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(methylamino)oxane-2-carboxylic acid 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

3,4-dihydroxyoxolane-2,5-dicarboxylic acid
CID 24781906
(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
CID 54302978
(3R,5R,6R)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
CID 91138099
(2S,3S,4S,5R,6R)-6-[[4-[[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]carbamoyl]benzoyl]amino]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 11813285
(2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 90062883
(3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 89252286
(4S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 122632722
(2S,3S,4S,5R,6S)-6-bromo-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 100973865
(3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylic acid
CID 16744772
(2S,3S,4S,5R,6R)-6-[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 71749947
(3S)-3,4,5-trihydroxy-6-(2-hydroxypropan-2-yl)oxane-2-carboxylic acid
CID 167018981
CID 131878561
CID 131878561

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(methylamino)oxane-2-carboxylic acid?
The IUPAC name of (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(methylamino)oxane-2-carboxylic acid (CID 152796008) is (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(methylamino)oxane-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(methylamino)oxane-2-carboxylic acid?
The canonical SMILES for (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(methylamino)oxane-2-carboxylic acid is CNC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(methylamino)oxane-2-carboxylic acid?
The InChIKey is SLWNHYFVDHUTMI-ZZWDRFIYSA-N. The full InChI is InChI=1S/C7H13NO6/c1-8-6-4(11)2(9)3(10)5(14-6)7(12)13/h2-6,8-11H,1H3,(H,12,13)/t2-,3-,4+,5-,6?/m0/s1.
What are the key properties of (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(methylamino)oxane-2-carboxylic acid?
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(methylamino)oxane-2-carboxylic acid has a molecular weight of 207.18 g/mol, XLogP of -2.90, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(methylamino)oxane-2-carboxylic acid is sourced from PubChem (CID 152796008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).