[(2S,3S,4S,5S)-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)thiolan-2-yl]methanol

C20H24O4S — CID 10316487

IUPAC[(2S,3S,4S,5S)-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)thiolan-2-yl]methanol
SMILESOC[C@@H]1S[C@@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H24O4S/c21-11-17-19(23-13-15-7-3-1-4-8-15)20(18(12-22)25-17)24-14-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18-,19+,20+/m0/s1
InChIKeyALPLZNCPDRFVOF-VNTMZGSJSA-N
MW360.47 g/mol
LogP2.63
Rot. Bonds8

About [(2S,3S,4S,5S)-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)thiolan-2-yl]methanol

[(2S,3S,4S,5S)-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)thiolan-2-yl]methanol (PubChem CID 10316487) has the molecular formula C20H24O4S and a molecular weight of 360.47 g/mol. Its IUPAC name is [(2S,3S,4S,5S)-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)thiolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,4S,5S)-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)thiolan-2-yl]methanol
PubChem CID10316487
Molecular FormulaC20H24O4S
Molecular Weight360.47 g/mol
Exact Mass360.14
IUPAC Name[(2S,3S,4S,5S)-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)thiolan-2-yl]methanol
SMILESOC[C@@H]1S[C@@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H24O4S/c21-11-17-19(23-13-15-7-3-1-4-8-15)20(18(12-22)25-17)24-14-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18-,19+,20+/m0/s1
InChIKeyALPLZNCPDRFVOF-VNTMZGSJSA-N
XLogP2.63
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(1R,2S,3R,4S,5S,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 6548176
(1S,2R,3R,4S,5R,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 101254496
(1S,2S,3R,4S,5R,6S)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 10671261
(2S,3R,4S,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)thian-2-ol
CID 66736571
3-[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxypropan-1-ol
CID 123313104
(3S,4R,5S,6S)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 154701983
(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91699471
(2R,3S,4S,5R,6R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 10973150
(2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol
CID 131023997

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4S,5S)-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)thiolan-2-yl]methanol?
The IUPAC name of [(2S,3S,4S,5S)-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)thiolan-2-yl]methanol (CID 10316487) is [(2S,3S,4S,5S)-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)thiolan-2-yl]methanol.
What is the SMILES notation for [(2S,3S,4S,5S)-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)thiolan-2-yl]methanol?
The canonical SMILES for [(2S,3S,4S,5S)-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)thiolan-2-yl]methanol is OC[C@@H]1S[C@@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(2S,3S,4S,5S)-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)thiolan-2-yl]methanol?
The InChIKey is ALPLZNCPDRFVOF-VNTMZGSJSA-N. The full InChI is InChI=1S/C20H24O4S/c21-11-17-19(23-13-15-7-3-1-4-8-15)20(18(12-22)25-17)24-14-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18-,19+,20+/m0/s1.
What are the key properties of [(2S,3S,4S,5S)-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)thiolan-2-yl]methanol?
[(2S,3S,4S,5S)-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)thiolan-2-yl]methanol has a molecular weight of 360.47 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4S,5S)-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)thiolan-2-yl]methanol is sourced from PubChem (CID 10316487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).