(2R)-2-[(2S,3S)-3,5-dihydroxy-4,4-dimethylpentan-2-yl]-3,4-dihydroxy-2H-furan-5-one

C11H18O6 — CID 141323483

IUPAC(2R)-2-[(2S,3S)-3,5-dihydroxy-4,4-dimethylpentan-2-yl]-3,4-dihydroxy-2H-furan-5-one
SMILESC[C@H]([C@H]1OC(=O)C(O)=C1O)[C@H](O)C(C)(C)CO
InChIInChI=1S/C11H18O6/c1-5(9(15)11(2,3)4-12)8-6(13)7(14)10(16)17-8/h5,8-9,12-15H,4H2,1-3H3/t5-,8-,9+/m1/s1
InChIKeyDATHVIXZKGUUDA-CGMLFGJQSA-N
MW246.26 g/mol
LogP0.25
Rot. Bonds4

About (2R)-2-[(2S,3S)-3,5-dihydroxy-4,4-dimethylpentan-2-yl]-3,4-dihydroxy-2H-furan-5-one

(2R)-2-[(2S,3S)-3,5-dihydroxy-4,4-dimethylpentan-2-yl]-3,4-dihydroxy-2H-furan-5-one (PubChem CID 141323483) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2R)-2-[(2S,3S)-3,5-dihydroxy-4,4-dimethylpentan-2-yl]-3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(2S,3S)-3,5-dihydroxy-4,4-dimethylpentan-2-yl]-3,4-dihydroxy-2H-furan-5-one
PubChem CID141323483
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Name(2R)-2-[(2S,3S)-3,5-dihydroxy-4,4-dimethylpentan-2-yl]-3,4-dihydroxy-2H-furan-5-one
SMILESC[C@H]([C@H]1OC(=O)C(O)=C1O)[C@H](O)C(C)(C)CO
InChIInChI=1S/C11H18O6/c1-5(9(15)11(2,3)4-12)8-6(13)7(14)10(16)17-8/h5,8-9,12-15H,4H2,1-3H3/t5-,8-,9+/m1/s1
InChIKeyDATHVIXZKGUUDA-CGMLFGJQSA-N
XLogP0.25
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,3S)-3,5-dihydroxy-4,4-dimethylpentan-2-yl]-3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(2S,3S)-3,5-dihydroxy-4,4-dimethylpentan-2-yl]-3,4-dihydroxy-2H-furan-5-one (CID 141323483) is (2R)-2-[(2S,3S)-3,5-dihydroxy-4,4-dimethylpentan-2-yl]-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(2S,3S)-3,5-dihydroxy-4,4-dimethylpentan-2-yl]-3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(2S,3S)-3,5-dihydroxy-4,4-dimethylpentan-2-yl]-3,4-dihydroxy-2H-furan-5-one is C[C@H]([C@H]1OC(=O)C(O)=C1O)[C@H](O)C(C)(C)CO.
What is the InChIKey of (2R)-2-[(2S,3S)-3,5-dihydroxy-4,4-dimethylpentan-2-yl]-3,4-dihydroxy-2H-furan-5-one?
The InChIKey is DATHVIXZKGUUDA-CGMLFGJQSA-N. The full InChI is InChI=1S/C11H18O6/c1-5(9(15)11(2,3)4-12)8-6(13)7(14)10(16)17-8/h5,8-9,12-15H,4H2,1-3H3/t5-,8-,9+/m1/s1.
What are the key properties of (2R)-2-[(2S,3S)-3,5-dihydroxy-4,4-dimethylpentan-2-yl]-3,4-dihydroxy-2H-furan-5-one?
(2R)-2-[(2S,3S)-3,5-dihydroxy-4,4-dimethylpentan-2-yl]-3,4-dihydroxy-2H-furan-5-one has a molecular weight of 246.26 g/mol, XLogP of 0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,3S)-3,5-dihydroxy-4,4-dimethylpentan-2-yl]-3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 141323483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).