G8I

(2S)-2-hydroxy-3,3-dimethylbutanoic acid

Created:	2023-07-20
Last modified:	2024-07-03

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1 entries where G8I is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	1
Bond Count	20
Aromatic Bond Count	0

2D diagram of G8I

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Chemical Component Summary
Name	(2S)-2-hydroxy-3,3-dimethylbutanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-3,3-dimethyl-2-oxidanyl-butanoic acid
Formula	C₆ H₁₂ O₃
Molecular Weight	132.158
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(O)C(C)(C)C
SMILES	CACTVS	3.385	CC(C)(C)[CH](O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CC(C)(C)C(C(=O)O)O
Canonical SMILES	CACTVS	3.385	CC(C)(C)[C@H](O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)(C)[C@@H](C(=O)O)O
InChI	InChI	1.06	InChI=1S/C6H12O3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)/t4-/m1/s1
InChIKey	InChI	1.06	FWVNWTNCNWRCOU-SCSAIBSYSA-N

Related Resource References

Resource Name	Reference
PubChem	11097105

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