XXD

(2S)-pentane-1,2,5-triol

Created:	2011-11-10
Last modified:	2011-11-10

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1 entries where XXD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	1
Bond Count	19
Aromatic Bond Count	0

2D diagram of XXD

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Chemical Component Summary
Name	(2S)-pentane-1,2,5-triol
Systematic Name (OpenEye OEToolkits)	(2S)-pentane-1,2,5-triol
Formula	C₅ H₁₂ O₃
Molecular Weight	120.147
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OCCCC(O)CO
SMILES	CACTVS	3.370	OCCC[CH](O)CO
SMILES	OpenEye OEToolkits	1.7.2	C(CC(CO)O)CO
Canonical SMILES	CACTVS	3.370	OCCC[C@H](O)CO
Canonical SMILES	OpenEye OEToolkits	1.7.2	C(C[C@@H](CO)O)CO
InChI	InChI	1.03	InChI=1S/C5H12O3/c6-3-1-2-5(8)4-7/h5-8H,1-4H2/t5-/m0/s1
InChIKey	InChI	1.03	WEAYWASEBDOLRG-YFKPBYRVSA-N

Related Resource References

Resource Name	Reference
PubChem	11051630

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