(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol

C12H16O4S — CID 46875436

IUPAC(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](CSc2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H16O4S/c13-6-9-11(14)12(15)10(16-9)7-17-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11-,12+/m1/s1
InChIKeyHONAZUBGMFRDAE-KXNHARMFSA-N
MW256.32 g/mol
LogP0.26
Rot. Bonds4

About (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol (PubChem CID 46875436) has the molecular formula C12H16O4S and a molecular weight of 256.32 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol
PubChem CID46875436
Molecular FormulaC12H16O4S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](CSc2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H16O4S/c13-6-9-11(14)12(15)10(16-9)7-17-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11-,12+/m1/s1
InChIKeyHONAZUBGMFRDAE-KXNHARMFSA-N
XLogP0.26
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol (CID 46875436) is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol is OC[C@H]1O[C@@H](CSc2ccccc2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol?
The InChIKey is HONAZUBGMFRDAE-KXNHARMFSA-N. The full InChI is InChI=1S/C12H16O4S/c13-6-9-11(14)12(15)10(16-9)7-17-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11-,12+/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol?
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol has a molecular weight of 256.32 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol is sourced from PubChem (CID 46875436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).