[6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol

C29H34O5S — CID 2829379

IUPAC[6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
SMILESCCSC1OC(CO)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C29H34O5S/c1-2-35-29-28(33-21-24-16-10-5-11-17-24)27(32-20-23-14-8-4-9-15-23)26(25(18-30)34-29)31-19-22-12-6-3-7-13-22/h3-17,25-30H,2,18-21H2,1H3
InChIKeyAZQPSLVUJGSMNT-UHFFFAOYSA-N
MW494.65 g/mol
LogP5.21
Rot. Bonds12

About [6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol

[6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol (PubChem CID 2829379) has the molecular formula C29H34O5S and a molecular weight of 494.65 g/mol. Its IUPAC name is [6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol.

Molecular Properties

Compound Name[6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
PubChem CID2829379
Molecular FormulaC29H34O5S
Molecular Weight494.65 g/mol
Exact Mass494.21
IUPAC Name[6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
SMILESCCSC1OC(CO)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C29H34O5S/c1-2-35-29-28(33-21-24-16-10-5-11-17-24)27(32-20-23-14-8-4-9-15-23)26(25(18-30)34-29)31-19-22-12-6-3-7-13-22/h3-17,25-30H,2,18-21H2,1H3
InChIKeyAZQPSLVUJGSMNT-UHFFFAOYSA-N
XLogP5.21
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.65
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol?
The IUPAC name of [6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol (CID 2829379) is [6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol.
What is the SMILES notation for [6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol?
The canonical SMILES for [6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol is CCSC1OC(CO)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of [6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol?
The InChIKey is AZQPSLVUJGSMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34O5S/c1-2-35-29-28(33-21-24-16-10-5-11-17-24)27(32-20-23-14-8-4-9-15-23)26(25(18-30)34-29)31-19-22-12-6-3-7-13-22/h3-17,25-30H,2,18-21H2,1H3.
What are the key properties of [6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol?
[6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol has a molecular weight of 494.65 g/mol, XLogP of 5.21, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol is sourced from PubChem (CID 2829379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).