BU2

1,3-BUTANEDIOL

Created:	2002-05-16
Last modified:	2024-09-27

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16 entries where BU2 is found as a standalone ligand1 entries where BU2 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	1
Bond Count	15
Aromatic Bond Count	0

2D diagram of BU2

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Chemical Component Summary
Name	1,3-BUTANEDIOL
Systematic Name (OpenEye OEToolkits)	(3S)-butane-1,3-diol
Formula	C₄ H₁₀ O₂
Molecular Weight	90.121
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OCCC(O)C
SMILES	CACTVS	3.341	C[CH](O)CCO
SMILES	OpenEye OEToolkits	1.5.0	CC(CCO)O
Canonical SMILES	CACTVS	3.341	C[C@H](O)CCO
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H](CCO)O
InChI	InChI	1.03	InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1
InChIKey	InChI	1.03	PUPZLCDOIYMWBV-BYPYZUCNSA-N

Drug Info: DrugBank

DrugBank ID	DB02202
Name	(S)-butane-1,3-diol
Groups	experimental
Synonyms	(S)-(+)-Butane-1,3-diol (S)-butane-1,3-diol
CAS number	24621-61-2

Related Resource References

Resource Name	Reference
PubChem	446973
ChEMBL	CHEMBL1231501
ChEBI	CHEBI:52688

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