(2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol

C17H20O3S — CID 11243648

IUPAC(2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol
SMILESOC[C@@H](Sc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C17H20O3S/c18-11-17(21-15-9-5-2-6-10-15)16(19)13-20-12-14-7-3-1-4-8-14/h1-10,16-19H,11-13H2/t16-,17-/m1/s1
InChIKeyGAIDZWICTZLBMK-IAGOWNOFSA-N
MW304.41 g/mol
LogP2.72
Rot. Bonds8

About (2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol

(2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol (PubChem CID 11243648) has the molecular formula C17H20O3S and a molecular weight of 304.41 g/mol. Its IUPAC name is (2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol.

Molecular Properties

Compound Name(2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol
PubChem CID11243648
Molecular FormulaC17H20O3S
Molecular Weight304.41 g/mol
Exact Mass304.11
IUPAC Name(2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol
SMILESOC[C@@H](Sc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C17H20O3S/c18-11-17(21-15-9-5-2-6-10-15)16(19)13-20-12-14-7-3-1-4-8-14/h1-10,16-19H,11-13H2/t16-,17-/m1/s1
InChIKeyGAIDZWICTZLBMK-IAGOWNOFSA-N
XLogP2.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 54001701
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CID 101124009
(2R,3R)-1-phenylmethoxy-4-phenylsulfanylbutane-2,3-diol
CID 11130512
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
(2R,3R)-2-ethenyl-4-phenylmethoxybutane-1,3-diol
CID 13112316
(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol
CID 14303090
(2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol
CID 102572212
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
(2R,3S,4R)-5-phenylmethoxy-2-selanylpentane-1,3,4-triol
CID 154270817
CID 172760983
CID 172760983
(2R,3S)-4-phenylmethoxy-2-prop-2-enylbutane-1,3-diol
CID 13355189

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol?
The IUPAC name of (2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol (CID 11243648) is (2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol.
What is the SMILES notation for (2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol?
The canonical SMILES for (2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol is OC[C@@H](Sc1ccccc1)[C@H](O)COCc1ccccc1.
What is the InChIKey of (2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol?
The InChIKey is GAIDZWICTZLBMK-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H20O3S/c18-11-17(21-15-9-5-2-6-10-15)16(19)13-20-12-14-7-3-1-4-8-14/h1-10,16-19H,11-13H2/t16-,17-/m1/s1.
What are the key properties of (2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol?
(2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol has a molecular weight of 304.41 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol is sourced from PubChem (CID 11243648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).