(2R,3R,4S,5S)-2-[4-(furan-3-yl)phenoxy]thiane-3,4,5-triol

C15H16O5S — CID 67396691

IUPAC(2R,3R,4S,5S)-2-[4-(furan-3-yl)phenoxy]thiane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](Oc2ccc(-c3ccoc3)cc2)SC[C@H]1O
InChIInChI=1S/C15H16O5S/c16-12-8-21-15(14(18)13(12)17)20-11-3-1-9(2-4-11)10-5-6-19-7-10/h1-7,12-18H,8H2/t12-,13+,14-,15-/m1/s1
InChIKeyTVCGQEZBHCALNU-LXTVHRRPSA-N
MW308.36 g/mol
LogP1.48
Rot. Bonds3

About (2R,3R,4S,5S)-2-[4-(furan-3-yl)phenoxy]thiane-3,4,5-triol

(2R,3R,4S,5S)-2-[4-(furan-3-yl)phenoxy]thiane-3,4,5-triol (PubChem CID 67396691) has the molecular formula C15H16O5S and a molecular weight of 308.36 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-[4-(furan-3-yl)phenoxy]thiane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-[4-(furan-3-yl)phenoxy]thiane-3,4,5-triol
PubChem CID67396691
Molecular FormulaC15H16O5S
Molecular Weight308.36 g/mol
Exact Mass308.07
IUPAC Name(2R,3R,4S,5S)-2-[4-(furan-3-yl)phenoxy]thiane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](Oc2ccc(-c3ccoc3)cc2)SC[C@H]1O
InChIInChI=1S/C15H16O5S/c16-12-8-21-15(14(18)13(12)17)20-11-3-1-9(2-4-11)10-5-6-19-7-10/h1-7,12-18H,8H2/t12-,13+,14-,15-/m1/s1
InChIKeyTVCGQEZBHCALNU-LXTVHRRPSA-N
XLogP1.48
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-[4-(furan-3-yl)phenoxy]thiane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S)-2-[4-(furan-3-yl)phenoxy]thiane-3,4,5-triol (CID 67396691) is (2R,3R,4S,5S)-2-[4-(furan-3-yl)phenoxy]thiane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S)-2-[4-(furan-3-yl)phenoxy]thiane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S)-2-[4-(furan-3-yl)phenoxy]thiane-3,4,5-triol is O[C@@H]1[C@@H](O)[C@H](Oc2ccc(-c3ccoc3)cc2)SC[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-2-[4-(furan-3-yl)phenoxy]thiane-3,4,5-triol?
The InChIKey is TVCGQEZBHCALNU-LXTVHRRPSA-N. The full InChI is InChI=1S/C15H16O5S/c16-12-8-21-15(14(18)13(12)17)20-11-3-1-9(2-4-11)10-5-6-19-7-10/h1-7,12-18H,8H2/t12-,13+,14-,15-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-[4-(furan-3-yl)phenoxy]thiane-3,4,5-triol?
(2R,3R,4S,5S)-2-[4-(furan-3-yl)phenoxy]thiane-3,4,5-triol has a molecular weight of 308.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-[4-(furan-3-yl)phenoxy]thiane-3,4,5-triol is sourced from PubChem (CID 67396691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).