(2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane

C29H34O4S — CID 10896107

IUPAC(2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane
SMILESCCS[C@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C29H34O4S/c1-3-34-29-28(32-21-25-17-11-6-12-18-25)27(31-20-24-15-9-5-10-16-24)26(22(2)33-29)30-19-23-13-7-4-8-14-23/h4-18,22,26-29H,3,19-21H2,1-2H3/t22-,26+,27+,28-,29+/m0/s1
InChIKeyRZVKVTBAQRMTEH-DQPHOHOGSA-N
MW478.65 g/mol
LogP6.24
Rot. Bonds11

About (2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane

(2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane (PubChem CID 10896107) has the molecular formula C29H34O4S and a molecular weight of 478.65 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane
PubChem CID10896107
Molecular FormulaC29H34O4S
Molecular Weight478.65 g/mol
Exact Mass478.22
IUPAC Name(2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane
SMILESCCS[C@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C29H34O4S/c1-3-34-29-28(32-21-25-17-11-6-12-18-25)27(31-20-24-15-9-5-10-16-24)26(22(2)33-29)30-19-23-13-7-4-8-14-23/h4-18,22,26-29H,3,19-21H2,1-2H3/t22-,26+,27+,28-,29+/m0/s1
InChIKeyRZVKVTBAQRMTEH-DQPHOHOGSA-N
XLogP6.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.65
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane 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 (2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane?
The IUPAC name of (2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane (CID 10896107) is (2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane.
What is the SMILES notation for (2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane?
The canonical SMILES for (2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane is CCS[C@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane?
The InChIKey is RZVKVTBAQRMTEH-DQPHOHOGSA-N. The full InChI is InChI=1S/C29H34O4S/c1-3-34-29-28(32-21-25-17-11-6-12-18-25)27(31-20-24-15-9-5-10-16-24)26(22(2)33-29)30-19-23-13-7-4-8-14-23/h4-18,22,26-29H,3,19-21H2,1-2H3/t22-,26+,27+,28-,29+/m0/s1.
What are the key properties of (2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane?
(2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane has a molecular weight of 478.65 g/mol, XLogP of 6.24, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane is sourced from PubChem (CID 10896107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).