(2S,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-phenylsulfanyloxolane-3,4-diol

C12H16O5S — CID 70004971

IUPAC(2S,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-phenylsulfanyloxolane-3,4-diol
SMILESOC[C@H](O)[C@@H]1O[C@@H](Sc2ccccc2)[C@H](O)[C@H]1O
InChIInChI=1S/C12H16O5S/c13-6-8(14)11-9(15)10(16)12(17-11)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12-/m0/s1
InChIKeyLDAOUZFPDPCBCF-KNZXXDILSA-N
MW272.32 g/mol
LogP-0.42
Rot. Bonds4

About (2S,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-phenylsulfanyloxolane-3,4-diol

(2S,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-phenylsulfanyloxolane-3,4-diol (PubChem CID 70004971) has the molecular formula C12H16O5S and a molecular weight of 272.32 g/mol. Its IUPAC name is (2S,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-phenylsulfanyloxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-phenylsulfanyloxolane-3,4-diol
PubChem CID70004971
Molecular FormulaC12H16O5S
Molecular Weight272.32 g/mol
Exact Mass272.07
IUPAC Name(2S,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-phenylsulfanyloxolane-3,4-diol
SMILESOC[C@H](O)[C@@H]1O[C@@H](Sc2ccccc2)[C@H](O)[C@H]1O
InChIInChI=1S/C12H16O5S/c13-6-8(14)11-9(15)10(16)12(17-11)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12-/m0/s1
InChIKeyLDAOUZFPDPCBCF-KNZXXDILSA-N
XLogP-0.42
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-phenylsulfanyloxolane-3,4-diol?
The IUPAC name of (2S,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-phenylsulfanyloxolane-3,4-diol (CID 70004971) is (2S,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-phenylsulfanyloxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-phenylsulfanyloxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-phenylsulfanyloxolane-3,4-diol is OC[C@H](O)[C@@H]1O[C@@H](Sc2ccccc2)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-phenylsulfanyloxolane-3,4-diol?
The InChIKey is LDAOUZFPDPCBCF-KNZXXDILSA-N. The full InChI is InChI=1S/C12H16O5S/c13-6-8(14)11-9(15)10(16)12(17-11)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12-/m0/s1.
What are the key properties of (2S,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-phenylsulfanyloxolane-3,4-diol?
(2S,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-phenylsulfanyloxolane-3,4-diol has a molecular weight of 272.32 g/mol, XLogP of -0.42, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-phenylsulfanyloxolane-3,4-diol is sourced from PubChem (CID 70004971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).