(2R)-3-[(2R)-2-carboxy-2-hydroxyethyl]sulfanyl-2-hydroxypropanoic acid

C6H10O6S — CID 90958132

IUPAC(2R)-3-[(2R)-2-carboxy-2-hydroxyethyl]sulfanyl-2-hydroxypropanoic acid
SMILESO=C(O)[C@@H](O)CSC[C@H](O)C(=O)O
InChIInChI=1S/C6H10O6S/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
InChIKeyDVGRVQOYQRJQBM-IMJSIDKUSA-N
MW210.21 g/mol
LogP-1.39
Rot. Bonds6

About (2R)-3-[(2R)-2-carboxy-2-hydroxyethyl]sulfanyl-2-hydroxypropanoic acid

(2R)-3-[(2R)-2-carboxy-2-hydroxyethyl]sulfanyl-2-hydroxypropanoic acid (PubChem CID 90958132) has the molecular formula C6H10O6S and a molecular weight of 210.21 g/mol. Its IUPAC name is (2R)-3-[(2R)-2-carboxy-2-hydroxyethyl]sulfanyl-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-3-[(2R)-2-carboxy-2-hydroxyethyl]sulfanyl-2-hydroxypropanoic acid
PubChem CID90958132
Molecular FormulaC6H10O6S
Molecular Weight210.21 g/mol
Exact Mass210.02
IUPAC Name(2R)-3-[(2R)-2-carboxy-2-hydroxyethyl]sulfanyl-2-hydroxypropanoic acid
SMILESO=C(O)[C@@H](O)CSC[C@H](O)C(=O)O
InChIInChI=1S/C6H10O6S/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
InChIKeyDVGRVQOYQRJQBM-IMJSIDKUSA-N
XLogP-1.39
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R)-3-[(2R)-2-carboxy-2-hydroxyethyl]sulfanyl-2-hydroxypropanoic 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

(2S)-2-hydroxy-3-methylsulfanylpropanoic acid
CID 59794223
2-hydroxy-3-pentan-3-ylsulfanylpropanoic acid
CID 18965561
2,3-dihydroxypropanoic acid
CID 175601105
2-hydroxy-3-phenylsulfanylpropanoic acid
CID 14591356
CID 131873477
CID 131873477
tetrakis(2,3-dihydroxypropanoic acid);silane
CID 174191422
alumane;2,3-dihydroxypropanoic acid
CID 173322444
3-hydroxypropane-1,1,3-tricarboxylic acid
CID 150529276
CID 158303129
CID 158303129
CID 156591905
CID 156591905
4-chloro-2-hydroxypentanoic acid
CID 20550476
5-ethylsulfanyl-2-hydroxypentanoic acid
CID 87148073

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2R)-2-carboxy-2-hydroxyethyl]sulfanyl-2-hydroxypropanoic acid?
The IUPAC name of (2R)-3-[(2R)-2-carboxy-2-hydroxyethyl]sulfanyl-2-hydroxypropanoic acid (CID 90958132) is (2R)-3-[(2R)-2-carboxy-2-hydroxyethyl]sulfanyl-2-hydroxypropanoic acid.
What is the SMILES notation for (2R)-3-[(2R)-2-carboxy-2-hydroxyethyl]sulfanyl-2-hydroxypropanoic acid?
The canonical SMILES for (2R)-3-[(2R)-2-carboxy-2-hydroxyethyl]sulfanyl-2-hydroxypropanoic acid is O=C(O)[C@@H](O)CSC[C@H](O)C(=O)O.
What is the InChIKey of (2R)-3-[(2R)-2-carboxy-2-hydroxyethyl]sulfanyl-2-hydroxypropanoic acid?
The InChIKey is DVGRVQOYQRJQBM-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H10O6S/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1.
What are the key properties of (2R)-3-[(2R)-2-carboxy-2-hydroxyethyl]sulfanyl-2-hydroxypropanoic acid?
(2R)-3-[(2R)-2-carboxy-2-hydroxyethyl]sulfanyl-2-hydroxypropanoic acid has a molecular weight of 210.21 g/mol, XLogP of -1.39, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2R)-2-carboxy-2-hydroxyethyl]sulfanyl-2-hydroxypropanoic acid is sourced from PubChem (CID 90958132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).