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

C17H20O3S — CID 11130512

IUPAC(2R,3R)-1-phenylmethoxy-4-phenylsulfanylbutane-2,3-diol
SMILESO[C@H](COCc1ccccc1)[C@@H](O)CSc1ccccc1
InChIInChI=1S/C17H20O3S/c18-16(12-20-11-14-7-3-1-4-8-14)17(19)13-21-15-9-5-2-6-10-15/h1-10,16-19H,11-13H2/t16-,17+/m1/s1
InChIKeyOCVOQEIDWMANBG-SJORKVTESA-N
MW304.41 g/mol
LogP2.72
Rot. Bonds8

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

(2R,3R)-1-phenylmethoxy-4-phenylsulfanylbutane-2,3-diol (PubChem CID 11130512) has the molecular formula C17H20O3S and a molecular weight of 304.41 g/mol. Its IUPAC name is (2R,3R)-1-phenylmethoxy-4-phenylsulfanylbutane-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-1-phenylmethoxy-4-phenylsulfanylbutane-2,3-diol
PubChem CID11130512
Molecular FormulaC17H20O3S
Molecular Weight304.41 g/mol
Exact Mass304.11
IUPAC Name(2R,3R)-1-phenylmethoxy-4-phenylsulfanylbutane-2,3-diol
SMILESO[C@H](COCc1ccccc1)[C@@H](O)CSc1ccccc1
InChIInChI=1S/C17H20O3S/c18-16(12-20-11-14-7-3-1-4-8-14)17(19)13-21-15-9-5-2-6-10-15/h1-10,16-19H,11-13H2/t16-,17+/m1/s1
InChIKeyOCVOQEIDWMANBG-SJORKVTESA-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

(2R,3R)-1-phenylmethoxy-3-(phenylsulfanylmethyl)-5-trimethylsilylpent-4-yn-2-ol
CID 101124008
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol
CID 11243648
1-phenylmethoxy-6-phenylsulfanylhexan-2-ol
CID 151451613
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
CID 10881156
(2S,3S)-3-bromo-1,4-bis(phenylmethoxy)butan-2-ol
CID 101083353
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
(2R)-1-phenylmethoxy-3-[(2S,3R)-3-(phenylsulfanylmethyl)oxiran-2-yl]propan-2-ol
CID 10860500
benzyl N-[(2S)-3-hydroxy-1,4-bis(phenylsulfanyl)butan-2-yl]carbamate
CID 57193424
(2R,3R)-2-ethenyl-4-phenylmethoxybutane-1,3-diol
CID 13112316

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-phenylmethoxy-4-phenylsulfanylbutane-2,3-diol?
The IUPAC name of (2R,3R)-1-phenylmethoxy-4-phenylsulfanylbutane-2,3-diol (CID 11130512) is (2R,3R)-1-phenylmethoxy-4-phenylsulfanylbutane-2,3-diol.
What is the SMILES notation for (2R,3R)-1-phenylmethoxy-4-phenylsulfanylbutane-2,3-diol?
The canonical SMILES for (2R,3R)-1-phenylmethoxy-4-phenylsulfanylbutane-2,3-diol is O[C@H](COCc1ccccc1)[C@@H](O)CSc1ccccc1.
What is the InChIKey of (2R,3R)-1-phenylmethoxy-4-phenylsulfanylbutane-2,3-diol?
The InChIKey is OCVOQEIDWMANBG-SJORKVTESA-N. The full InChI is InChI=1S/C17H20O3S/c18-16(12-20-11-14-7-3-1-4-8-14)17(19)13-21-15-9-5-2-6-10-15/h1-10,16-19H,11-13H2/t16-,17+/m1/s1.
What are the key properties of (2R,3R)-1-phenylmethoxy-4-phenylsulfanylbutane-2,3-diol?
(2R,3R)-1-phenylmethoxy-4-phenylsulfanylbutane-2,3-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)-1-phenylmethoxy-4-phenylsulfanylbutane-2,3-diol is sourced from PubChem (CID 11130512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).