alumane;2,3-dihydroxypropanoic acid

C3H9AlO4 — CID 173322444

IUPACalumane;2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)CO.[AlH3]
InChIInChI=1S/C3H6O4.Al.3H/c4-1-2(5)3(6)7;;;;/h2,4-5H,1H2,(H,6,7);;;;
InChIKeyDWYAGJWZKJHVHV-UHFFFAOYSA-N
MW136.08 g/mol
LogP-2.76
Rot. Bonds2

About alumane;2,3-dihydroxypropanoic acid

alumane;2,3-dihydroxypropanoic acid (PubChem CID 173322444) has the molecular formula C3H9AlO4 and a molecular weight of 136.08 g/mol. Its IUPAC name is alumane;2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Namealumane;2,3-dihydroxypropanoic acid
PubChem CID173322444
Molecular FormulaC3H9AlO4
Molecular Weight136.08 g/mol
Exact Mass136.03
IUPAC Namealumane;2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)CO.[AlH3]
InChIInChI=1S/C3H6O4.Al.3H/c4-1-2(5)3(6)7;;;;/h2,4-5H,1H2,(H,6,7);;;;
InChIKeyDWYAGJWZKJHVHV-UHFFFAOYSA-N
XLogP-2.76
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.08
LogP ≤ 5-2.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroxypropanoic acid
CID 175601105
tetrakis(2,3-dihydroxypropanoic acid);silane
CID 174191422
CID 131873477
CID 131873477
CID 158303129
CID 158303129
CID 156591905
CID 156591905
2,3-dihydroxypropanoic acid;2-hydroxyacetic acid
CID 135323776
2,3-dihydroxypropanoic acid;2-oxopropanoic acid
CID 138543895
(Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid)
CID 162142261
2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid
CID 87631313
(2S)-2,3-dihydroxypropanoic acid;2,2,2-trifluoroacetic acid
CID 89157010
2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid
CID 159861269
butanoic acid;2,3-dihydroxypropanoic acid
CID 161118248

Frequently Asked Questions

What is the IUPAC name of alumane;2,3-dihydroxypropanoic acid?
The IUPAC name of alumane;2,3-dihydroxypropanoic acid (CID 173322444) is alumane;2,3-dihydroxypropanoic acid.
What is the SMILES notation for alumane;2,3-dihydroxypropanoic acid?
The canonical SMILES for alumane;2,3-dihydroxypropanoic acid is O=C(O)C(O)CO.[AlH3].
What is the InChIKey of alumane;2,3-dihydroxypropanoic acid?
The InChIKey is DWYAGJWZKJHVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O4.Al.3H/c4-1-2(5)3(6)7;;;;/h2,4-5H,1H2,(H,6,7);;;;.
What are the key properties of alumane;2,3-dihydroxypropanoic acid?
alumane;2,3-dihydroxypropanoic acid has a molecular weight of 136.08 g/mol, XLogP of -2.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2,3-dihydroxypropanoic acid is sourced from PubChem (CID 173322444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).