BU3

(R,R)-2,3-BUTANEDIOL

Created:	2004-03-17
Last modified:	2011-06-04

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104 entries where BU3 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 BU3

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

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC(C)C(O)C
SMILES	CACTVS	3.341	C[CH](O)[CH](C)O
SMILES	OpenEye OEToolkits	1.5.0	CC(C(C)O)O
Canonical SMILES	CACTVS	3.341	C[C@@H](O)[C@@H](C)O
Canonical SMILES	OpenEye OEToolkits	1.5.0	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-/m1/s1
InChIKey	InChI	1.03	OWBTYPJTUOEWEK-QWWZWVQMSA-N

Related Resource References

Resource Name	Reference
PubChem	225936
ChEBI	CHEBI:16982
CCDC/CSD	ZAVXAV, BUOLMO

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