2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid

C6H12O7 — CID 87631313

IUPAC2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid
SMILESO=C(O)C(O)CO.O=C(O)CCO
InChIInChI=1S/C3H6O4.C3H6O3/c4-1-2(5)3(6)7;4-2-1-3(5)6/h2,4-5H,1H2,(H,6,7);4H,1-2H2,(H,5,6)
InChIKeyPQNYJWRYSKTUOR-UHFFFAOYSA-N
MW196.15 g/mol
LogP-2.12
Rot. Bonds4

About 2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid

2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid (PubChem CID 87631313) has the molecular formula C6H12O7 and a molecular weight of 196.15 g/mol. Its IUPAC name is 2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid.

Molecular Properties

Compound Name2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid
PubChem CID87631313
Molecular FormulaC6H12O7
Molecular Weight196.15 g/mol
Exact Mass196.06
IUPAC Name2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid
SMILESO=C(O)C(O)CO.O=C(O)CCO
InChIInChI=1S/C3H6O4.C3H6O3/c4-1-2(5)3(6)7;4-2-1-3(5)6/h2,4-5H,1H2,(H,6,7);4H,1-2H2,(H,5,6)
InChIKeyPQNYJWRYSKTUOR-UHFFFAOYSA-N
XLogP-2.12
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 5-2.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroxypropanoic acid
CID 175601105
2,3-dihydroxypropanoic acid;2-hydroxyacetic acid
CID 135323776
butanoic acid;2,3-dihydroxypropanoic acid
CID 161118248
CID 131873477
CID 131873477
CID 156591905
CID 156591905
tetrakis(2,3-dihydroxypropanoic acid);silane
CID 174191422
alumane;2,3-dihydroxypropanoic acid
CID 173322444
CID 158303129
CID 158303129
bismuthane;3-hydroxypropanoic acid
CID 173193859
(2R)-2-hydroxypentanedioic acid;hydrate
CID 141372843
2,3-dihydroxypropanoic acid;2-oxopropanoic acid
CID 138543895
(Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid)
CID 162142261

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid?
The IUPAC name of 2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid (CID 87631313) is 2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid.
What is the SMILES notation for 2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid?
The canonical SMILES for 2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid is O=C(O)C(O)CO.O=C(O)CCO.
What is the InChIKey of 2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid?
The InChIKey is PQNYJWRYSKTUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O4.C3H6O3/c4-1-2(5)3(6)7;4-2-1-3(5)6/h2,4-5H,1H2,(H,6,7);4H,1-2H2,(H,5,6).
What are the key properties of 2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid?
2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid has a molecular weight of 196.15 g/mol, XLogP of -2.12, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid is sourced from PubChem (CID 87631313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).