23B

(2S,3R)-2,3-dihydroxy-2-methylbutanoic acid

Created:	2013-06-13
Last modified:	2013-09-11

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1 entries where 23B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	2
Bond Count	18
Aromatic Bond Count	0

2D diagram of 23B

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Chemical Component Summary
Name	(2S,3R)-2,3-dihydroxy-2-methylbutanoic acid
Systematic Name (OpenEye OEToolkits)	(2S,3R)-2-methyl-2,3-bis(oxidanyl)butanoic acid
Formula	C₅ H₁₀ O₄
Molecular Weight	134.13
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(O)(C)C(O)C
SMILES	CACTVS	3.370	C[CH](O)[C](C)(O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC(C(C)(C(=O)O)O)O
Canonical SMILES	CACTVS	3.370	C[C@@H](O)[C@](C)(O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@H]([C@@](C)(C(=O)O)O)O
InChI	InChI	1.03	InChI=1S/C5H10O4/c1-3(6)5(2,9)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-,5+/m1/s1
InChIKey	InChI	1.03	AOWPAWLEXIYETE-WUJLRWPWSA-N

Related Resource References

Resource Name	Reference
PubChem	71695577

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