(2R,3R,4R,5R)-2-phenylmethoxy-5-(sulfanylmethyl)oxolane-3,4-diol

C12H16O4S — CID 56839704

IUPAC(2R,3R,4R,5R)-2-phenylmethoxy-5-(sulfanylmethyl)oxolane-3,4-diol
SMILESO[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H]1CS
InChIInChI=1S/C12H16O4S/c13-10-9(7-17)16-12(11(10)14)15-6-8-4-2-1-3-5-8/h1-5,9-14,17H,6-7H2/t9-,10-,11+,12+/m0/s1
InChIKeyZNQALFOJSWGEKQ-NNYUYHANSA-N
MW256.32 g/mol
LogP0.58
Rot. Bonds4

About (2R,3R,4R,5R)-2-phenylmethoxy-5-(sulfanylmethyl)oxolane-3,4-diol

(2R,3R,4R,5R)-2-phenylmethoxy-5-(sulfanylmethyl)oxolane-3,4-diol (PubChem CID 56839704) has the molecular formula C12H16O4S and a molecular weight of 256.32 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-phenylmethoxy-5-(sulfanylmethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-phenylmethoxy-5-(sulfanylmethyl)oxolane-3,4-diol
PubChem CID56839704
Molecular FormulaC12H16O4S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC Name(2R,3R,4R,5R)-2-phenylmethoxy-5-(sulfanylmethyl)oxolane-3,4-diol
SMILESO[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H]1CS
InChIInChI=1S/C12H16O4S/c13-10-9(7-17)16-12(11(10)14)15-6-8-4-2-1-3-5-8/h1-5,9-14,17H,6-7H2/t9-,10-,11+,12+/m0/s1
InChIKeyZNQALFOJSWGEKQ-NNYUYHANSA-N
XLogP0.58
TPSA58.92 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 ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
(3R,4S,5S,6R)-2-phenylmethoxy-6-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 163193773
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[[3-(phenylmethoxymethyl)-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenyl]methoxy]oxane-3,4,5-triol
CID 102068966
(2R,3S,4S,5S,6S)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 162995015
(2R,3R,4S,5S,6S)-2-methyl-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 162995019
(2S,3S,4S,5S,6R)-2-phenylmethoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 10459079
(2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol
CID 102303729
(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carbaldehyde
CID 10849475
(2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11253449
(2R,3S,4R,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11564962

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-phenylmethoxy-5-(sulfanylmethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-phenylmethoxy-5-(sulfanylmethyl)oxolane-3,4-diol (CID 56839704) is (2R,3R,4R,5R)-2-phenylmethoxy-5-(sulfanylmethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-phenylmethoxy-5-(sulfanylmethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-phenylmethoxy-5-(sulfanylmethyl)oxolane-3,4-diol is O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)O[C@H]1CS.
What is the InChIKey of (2R,3R,4R,5R)-2-phenylmethoxy-5-(sulfanylmethyl)oxolane-3,4-diol?
The InChIKey is ZNQALFOJSWGEKQ-NNYUYHANSA-N. The full InChI is InChI=1S/C12H16O4S/c13-10-9(7-17)16-12(11(10)14)15-6-8-4-2-1-3-5-8/h1-5,9-14,17H,6-7H2/t9-,10-,11+,12+/m0/s1.
What are the key properties of (2R,3R,4R,5R)-2-phenylmethoxy-5-(sulfanylmethyl)oxolane-3,4-diol?
(2R,3R,4R,5R)-2-phenylmethoxy-5-(sulfanylmethyl)oxolane-3,4-diol has a molecular weight of 256.32 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-phenylmethoxy-5-(sulfanylmethyl)oxolane-3,4-diol is sourced from PubChem (CID 56839704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).