MRD

(4R)-2-METHYLPENTANE-2,4-DIOL

Created:	2003-01-08
Last modified:	2011-06-04

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

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	1
Bond Count	21
Aromatic Bond Count	0

2D diagram of MRD

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Chemical Component Summary
Name	(4R)-2-METHYLPENTANE-2,4-DIOL
Systematic Name (OpenEye OEToolkits)	(4R)-2-methylpentane-2,4-diol
Formula	C₆ H₁₄ O₂
Molecular Weight	118.174
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC(C)CC(O)(C)C
SMILES	CACTVS	3.341	C[CH](O)CC(C)(C)O
SMILES	OpenEye OEToolkits	1.5.0	CC(CC(C)(C)O)O
Canonical SMILES	CACTVS	3.341	C[C@@H](O)CC(C)(C)O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H](CC(C)(C)O)O
InChI	InChI	1.03	InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m1/s1
InChIKey	InChI	1.03	SVTBMSDMJJWYQN-RXMQYKEDSA-N

Related Resource References

Resource Name	Reference
PubChem	5288845

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