(2R)-3,4-dihydroxy-2-[(4S)-2-phenyl-1,3-dioxolan-4-yl]-2H-furan-5-one

C13H12O6 — CID 54682464

IUPAC(2R)-3,4-dihydroxy-2-[(4S)-2-phenyl-1,3-dioxolan-4-yl]-2H-furan-5-one
SMILESO=C1O[C@H]([C@@H]2COC(c3ccccc3)O2)C(O)=C1O
InChIInChI=1S/C13H12O6/c14-9-10(15)12(16)19-11(9)8-6-17-13(18-8)7-4-2-1-3-5-7/h1-5,8,11,13-15H,6H2/t8-,11+,13?/m0/s1
InChIKeySWTGJCNCBUCXSS-ISUZDFFFSA-N
MW264.23 g/mol
LogP1.35
Rot. Bonds2

About (2R)-3,4-dihydroxy-2-[(4S)-2-phenyl-1,3-dioxolan-4-yl]-2H-furan-5-one

(2R)-3,4-dihydroxy-2-[(4S)-2-phenyl-1,3-dioxolan-4-yl]-2H-furan-5-one (PubChem CID 54682464) has the molecular formula C13H12O6 and a molecular weight of 264.23 g/mol. Its IUPAC name is (2R)-3,4-dihydroxy-2-[(4S)-2-phenyl-1,3-dioxolan-4-yl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-3,4-dihydroxy-2-[(4S)-2-phenyl-1,3-dioxolan-4-yl]-2H-furan-5-one
PubChem CID54682464
Molecular FormulaC13H12O6
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Name(2R)-3,4-dihydroxy-2-[(4S)-2-phenyl-1,3-dioxolan-4-yl]-2H-furan-5-one
SMILESO=C1O[C@H]([C@@H]2COC(c3ccccc3)O2)C(O)=C1O
InChIInChI=1S/C13H12O6/c14-9-10(15)12(16)19-11(9)8-6-17-13(18-8)7-4-2-1-3-5-7/h1-5,8,11,13-15H,6H2/t8-,11+,13?/m0/s1
InChIKeySWTGJCNCBUCXSS-ISUZDFFFSA-N
XLogP1.35
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,4-dihydroxy-2-[(4S)-2-phenyl-1,3-dioxolan-4-yl]-2H-furan-5-one?
The IUPAC name of (2R)-3,4-dihydroxy-2-[(4S)-2-phenyl-1,3-dioxolan-4-yl]-2H-furan-5-one (CID 54682464) is (2R)-3,4-dihydroxy-2-[(4S)-2-phenyl-1,3-dioxolan-4-yl]-2H-furan-5-one.
What is the SMILES notation for (2R)-3,4-dihydroxy-2-[(4S)-2-phenyl-1,3-dioxolan-4-yl]-2H-furan-5-one?
The canonical SMILES for (2R)-3,4-dihydroxy-2-[(4S)-2-phenyl-1,3-dioxolan-4-yl]-2H-furan-5-one is O=C1O[C@H]([C@@H]2COC(c3ccccc3)O2)C(O)=C1O.
What is the InChIKey of (2R)-3,4-dihydroxy-2-[(4S)-2-phenyl-1,3-dioxolan-4-yl]-2H-furan-5-one?
The InChIKey is SWTGJCNCBUCXSS-ISUZDFFFSA-N. The full InChI is InChI=1S/C13H12O6/c14-9-10(15)12(16)19-11(9)8-6-17-13(18-8)7-4-2-1-3-5-7/h1-5,8,11,13-15H,6H2/t8-,11+,13?/m0/s1.
What are the key properties of (2R)-3,4-dihydroxy-2-[(4S)-2-phenyl-1,3-dioxolan-4-yl]-2H-furan-5-one?
(2R)-3,4-dihydroxy-2-[(4S)-2-phenyl-1,3-dioxolan-4-yl]-2H-furan-5-one has a molecular weight of 264.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,4-dihydroxy-2-[(4S)-2-phenyl-1,3-dioxolan-4-yl]-2H-furan-5-one is sourced from PubChem (CID 54682464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).