2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid

C6H12O8 — CID 159861269

IUPAC2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid
SMILESCC(O)(O)C(=O)O.O=C(O)[C@H](O)CO
InChIInChI=1S/2C3H6O4/c1-3(6,7)2(4)5;4-1-2(5)3(6)7/h6-7H,1H3,(H,4,5);2,4-5H,1H2,(H,6,7)/t;2-/m.1/s1
InChIKeyNREFLOJMRCLGLS-ARGLLVQISA-N
MW212.15 g/mol
LogP-2.80
Rot. Bonds3

About 2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid

2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid (PubChem CID 159861269) has the molecular formula C6H12O8 and a molecular weight of 212.15 g/mol. Its IUPAC name is 2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid
PubChem CID159861269
Molecular FormulaC6H12O8
Molecular Weight212.15 g/mol
Exact Mass212.05
IUPAC Name2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid
SMILESCC(O)(O)C(=O)O.O=C(O)[C@H](O)CO
InChIInChI=1S/2C3H6O4/c1-3(6,7)2(4)5;4-1-2(5)3(6)7/h6-7H,1H3,(H,4,5);2,4-5H,1H2,(H,6,7)/t;2-/m.1/s1
InChIKeyNREFLOJMRCLGLS-ARGLLVQISA-N
XLogP-2.80
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.15
LogP ≤ 5-2.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxypropanoic acid
CID 175601105
tetrakis(2,3-dihydroxypropanoic acid);silane
CID 174191422
alumane;2,3-dihydroxypropanoic acid
CID 173322444
CID 131873477
CID 131873477
CID 158303129
CID 158303129
CID 156591905
CID 156591905
(2S)-2,3-dihydroxypropanoic acid;2,2,2-trifluoroacetic acid
CID 89157010
2,3-dihydroxypropanoic acid;2-oxopropanoic acid
CID 138543895
2,3-dihydroxypropanoic acid;2-hydroxyacetic acid
CID 135323776
(Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid)
CID 162142261
3-hydroxy-2-(hydroxymethyl)-3-methylbutanoic acid
CID 175015418
butanoic acid;2,3-dihydroxypropanoic acid
CID 161118248

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid?
The IUPAC name of 2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid (CID 159861269) is 2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid is CC(O)(O)C(=O)O.O=C(O)[C@H](O)CO.
What is the InChIKey of 2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid?
The InChIKey is NREFLOJMRCLGLS-ARGLLVQISA-N. The full InChI is InChI=1S/2C3H6O4/c1-3(6,7)2(4)5;4-1-2(5)3(6)7/h6-7H,1H3,(H,4,5);2,4-5H,1H2,(H,6,7)/t;2-/m.1/s1.
What are the key properties of 2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid?
2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid has a molecular weight of 212.15 g/mol, XLogP of -2.80, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 159861269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).