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

C10H16O6 — CID 176655482

IUPAC(2S)-3,4-dihydroxy-2-[(2R)-2-hydroxy-3-methoxy-3-methylbutan-2-yl]-2H-furan-5-one
SMILESCOC(C)(C)[C@](C)(O)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C10H16O6/c1-9(2,15-4)10(3,14)7-5(11)6(12)8(13)16-7/h7,11-12,14H,1-4H3/t7-,10+/m0/s1
InChIKeyCANCSTXHEIBBCN-OIBJUYFYSA-N
MW232.23 g/mol
LogP0.42
Rot. Bonds3

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

(2S)-3,4-dihydroxy-2-[(2R)-2-hydroxy-3-methoxy-3-methylbutan-2-yl]-2H-furan-5-one (PubChem CID 176655482) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is (2S)-3,4-dihydroxy-2-[(2R)-2-hydroxy-3-methoxy-3-methylbutan-2-yl]-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-3,4-dihydroxy-2-[(2R)-2-hydroxy-3-methoxy-3-methylbutan-2-yl]-2H-furan-5-one
PubChem CID176655482
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name(2S)-3,4-dihydroxy-2-[(2R)-2-hydroxy-3-methoxy-3-methylbutan-2-yl]-2H-furan-5-one
SMILESCOC(C)(C)[C@](C)(O)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C10H16O6/c1-9(2,15-4)10(3,14)7-5(11)6(12)8(13)16-7/h7,11-12,14H,1-4H3/t7-,10+/m0/s1
InChIKeyCANCSTXHEIBBCN-OIBJUYFYSA-N
XLogP0.42
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,4-dihydroxy-2-[(2R)-2-hydroxy-3-methoxy-3-methylbutan-2-yl]-2H-furan-5-one?
The IUPAC name of (2S)-3,4-dihydroxy-2-[(2R)-2-hydroxy-3-methoxy-3-methylbutan-2-yl]-2H-furan-5-one (CID 176655482) is (2S)-3,4-dihydroxy-2-[(2R)-2-hydroxy-3-methoxy-3-methylbutan-2-yl]-2H-furan-5-one.
What is the SMILES notation for (2S)-3,4-dihydroxy-2-[(2R)-2-hydroxy-3-methoxy-3-methylbutan-2-yl]-2H-furan-5-one?
The canonical SMILES for (2S)-3,4-dihydroxy-2-[(2R)-2-hydroxy-3-methoxy-3-methylbutan-2-yl]-2H-furan-5-one is COC(C)(C)[C@](C)(O)[C@H]1OC(=O)C(O)=C1O.
What is the InChIKey of (2S)-3,4-dihydroxy-2-[(2R)-2-hydroxy-3-methoxy-3-methylbutan-2-yl]-2H-furan-5-one?
The InChIKey is CANCSTXHEIBBCN-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H16O6/c1-9(2,15-4)10(3,14)7-5(11)6(12)8(13)16-7/h7,11-12,14H,1-4H3/t7-,10+/m0/s1.
What are the key properties of (2S)-3,4-dihydroxy-2-[(2R)-2-hydroxy-3-methoxy-3-methylbutan-2-yl]-2H-furan-5-one?
(2S)-3,4-dihydroxy-2-[(2R)-2-hydroxy-3-methoxy-3-methylbutan-2-yl]-2H-furan-5-one has a molecular weight of 232.23 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,4-dihydroxy-2-[(2R)-2-hydroxy-3-methoxy-3-methylbutan-2-yl]-2H-furan-5-one is sourced from PubChem (CID 176655482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).