bis(2,3-dihydroxypropanoyloxy)gallanyl 2,3-dihydroxypropanoate

C9H15GaO12 — CID 155673324

IUPACbis(2,3-dihydroxypropanoyloxy)gallanyl 2,3-dihydroxypropanoate
SMILESO=C(O[Ga](OC(=O)C(O)CO)OC(=O)C(O)CO)C(O)CO
InChIInChI=1S/3C3H6O4.Ga/c3*4-1-2(5)3(6)7;/h3*2,4-5H,1H2,(H,6,7);/q;;;+3/p-3
InChIKeyPLBNNNTYOFDLJO-UHFFFAOYSA-K
MW384.93 g/mol
LogP-5.34
Rot. Bonds9

About bis(2,3-dihydroxypropanoyloxy)gallanyl 2,3-dihydroxypropanoate

bis(2,3-dihydroxypropanoyloxy)gallanyl 2,3-dihydroxypropanoate (PubChem CID 155673324) has the molecular formula C9H15GaO12 and a molecular weight of 384.93 g/mol. Its IUPAC name is bis(2,3-dihydroxypropanoyloxy)gallanyl 2,3-dihydroxypropanoate.

Molecular Properties

Compound Namebis(2,3-dihydroxypropanoyloxy)gallanyl 2,3-dihydroxypropanoate
PubChem CID155673324
Molecular FormulaC9H15GaO12
Molecular Weight384.93 g/mol
Exact Mass383.98
IUPAC Namebis(2,3-dihydroxypropanoyloxy)gallanyl 2,3-dihydroxypropanoate
SMILESO=C(O[Ga](OC(=O)C(O)CO)OC(=O)C(O)CO)C(O)CO
InChIInChI=1S/3C3H6O4.Ga/c3*4-1-2(5)3(6)7;/h3*2,4-5H,1H2,(H,6,7);/q;;;+3/p-3
InChIKeyPLBNNNTYOFDLJO-UHFFFAOYSA-K
XLogP-5.34
TPSA200.28 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500384.93
LogP ≤ 5-5.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Related Compounds

methanol;methyl 2,3-dihydroxypropanoate
CID 174804143
2-methylpropyl 2,3-dihydroxypropanoate
CID 87068517
4-hydroxybutyl 2,3-dihydroxypropanoate
CID 141224989
2-oxoethyl 2,3-dihydroxypropanoate
CID 20759177
(2-aminoacetyl) 2,3-dihydroxypropanoate
CID 163363613
tert-butyl 2,3-dihydroxypropanoate
CID 22035660
(4S)-1,2,4,5-tetrahydroxypentan-3-one
CID 54455604
ethanethioyl 2,3-dihydroxypropanoate
CID 141091058
tert-butyl 2,3-dihydroxypropanoate;hydrate
CID 141006669
cyclobutyl 2,3-dihydroxypropanoate
CID 141365540
3-methylbutyl 2,3-dihydroxypropanoate
CID 87068414
2,3-dihydroxypropanoic acid
CID 175601105

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dihydroxypropanoyloxy)gallanyl 2,3-dihydroxypropanoate?
The IUPAC name of bis(2,3-dihydroxypropanoyloxy)gallanyl 2,3-dihydroxypropanoate (CID 155673324) is bis(2,3-dihydroxypropanoyloxy)gallanyl 2,3-dihydroxypropanoate.
What is the SMILES notation for bis(2,3-dihydroxypropanoyloxy)gallanyl 2,3-dihydroxypropanoate?
The canonical SMILES for bis(2,3-dihydroxypropanoyloxy)gallanyl 2,3-dihydroxypropanoate is O=C(O[Ga](OC(=O)C(O)CO)OC(=O)C(O)CO)C(O)CO.
What is the InChIKey of bis(2,3-dihydroxypropanoyloxy)gallanyl 2,3-dihydroxypropanoate?
The InChIKey is PLBNNNTYOFDLJO-UHFFFAOYSA-K. The full InChI is InChI=1S/3C3H6O4.Ga/c3*4-1-2(5)3(6)7;/h3*2,4-5H,1H2,(H,6,7);/q;;;+3/p-3.
What are the key properties of bis(2,3-dihydroxypropanoyloxy)gallanyl 2,3-dihydroxypropanoate?
bis(2,3-dihydroxypropanoyloxy)gallanyl 2,3-dihydroxypropanoate has a molecular weight of 384.93 g/mol, XLogP of -5.34, 9 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dihydroxypropanoyloxy)gallanyl 2,3-dihydroxypropanoate is sourced from PubChem (CID 155673324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).