BUD

(2S,3S)-butane-2,3-diol

Created:	2010-09-20
Last modified:	2011-06-04

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6 entries where BUD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	2
Bond Count	15
Aromatic Bond Count	0

2D diagram of BUD

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Chemical Component Summary
Name	(2S,3S)-butane-2,3-diol
Systematic Name (OpenEye OEToolkits)	(2S,3S)-butane-2,3-diol
Formula	C₄ H₁₀ O₂
Molecular Weight	90.121
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(C)C(O)C
SMILES	CACTVS	3.370	C[CH](O)[CH](C)O
SMILES	OpenEye OEToolkits	1.7.0	CC(C(C)O)O
Canonical SMILES	CACTVS	3.370	C[C@H](O)[C@H](C)O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C[C@@H]([C@H](C)O)O
InChI	InChI	1.03	InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1
InChIKey	InChI	1.03	OWBTYPJTUOEWEK-IMJSIDKUSA-N

Related Resource References

Resource Name	Reference
PubChem	439888
ChEBI	CHEBI:16812
CCDC/CSD	ZEFPAD02, XOSQED, ZEFPAD03, ZEFPAD, BUOLMO
COD	7208660, 7208661, 7208658, 7208659

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.