(4S,5R)-5-phenylmethoxy-4-(phenylmethoxymethyl)-1,3,2-dioxathiane 2,2-dioxide

C18H20O6S — CID 11325992

IUPAC(4S,5R)-5-phenylmethoxy-4-(phenylmethoxymethyl)-1,3,2-dioxathiane 2,2-dioxide
SMILESO=S1(=O)OC[C@@H](OCc2ccccc2)[C@H](COCc2ccccc2)O1
InChIInChI=1S/C18H20O6S/c19-25(20)23-14-17(22-12-16-9-5-2-6-10-16)18(24-25)13-21-11-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2/t17-,18+/m1/s1
InChIKeyFYHCLPFGUJXNIH-MSOLQXFVSA-N
MW364.42 g/mol
LogP2.45
Rot. Bonds7

About (4S,5R)-5-phenylmethoxy-4-(phenylmethoxymethyl)-1,3,2-dioxathiane 2,2-dioxide

(4S,5R)-5-phenylmethoxy-4-(phenylmethoxymethyl)-1,3,2-dioxathiane 2,2-dioxide (PubChem CID 11325992) has the molecular formula C18H20O6S and a molecular weight of 364.42 g/mol. Its IUPAC name is (4S,5R)-5-phenylmethoxy-4-(phenylmethoxymethyl)-1,3,2-dioxathiane 2,2-dioxide.

Molecular Properties

Compound Name(4S,5R)-5-phenylmethoxy-4-(phenylmethoxymethyl)-1,3,2-dioxathiane 2,2-dioxide
PubChem CID11325992
Molecular FormulaC18H20O6S
Molecular Weight364.42 g/mol
Exact Mass364.10
IUPAC Name(4S,5R)-5-phenylmethoxy-4-(phenylmethoxymethyl)-1,3,2-dioxathiane 2,2-dioxide
SMILESO=S1(=O)OC[C@@H](OCc2ccccc2)[C@H](COCc2ccccc2)O1
InChIInChI=1S/C18H20O6S/c19-25(20)23-14-17(22-12-16-9-5-2-6-10-16)18(24-25)13-21-11-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2/t17-,18+/m1/s1
InChIKeyFYHCLPFGUJXNIH-MSOLQXFVSA-N
XLogP2.45
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S,5R)-5-phenylmethoxy-4-(phenylmethoxymethyl)-1,3,2-dioxathiane 2,2-dioxide 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 (4S,5R)-5-phenylmethoxy-4-(phenylmethoxymethyl)-1,3,2-dioxathiane 2,2-dioxide?
The IUPAC name of (4S,5R)-5-phenylmethoxy-4-(phenylmethoxymethyl)-1,3,2-dioxathiane 2,2-dioxide (CID 11325992) is (4S,5R)-5-phenylmethoxy-4-(phenylmethoxymethyl)-1,3,2-dioxathiane 2,2-dioxide.
What is the SMILES notation for (4S,5R)-5-phenylmethoxy-4-(phenylmethoxymethyl)-1,3,2-dioxathiane 2,2-dioxide?
The canonical SMILES for (4S,5R)-5-phenylmethoxy-4-(phenylmethoxymethyl)-1,3,2-dioxathiane 2,2-dioxide is O=S1(=O)OC[C@@H](OCc2ccccc2)[C@H](COCc2ccccc2)O1.
What is the InChIKey of (4S,5R)-5-phenylmethoxy-4-(phenylmethoxymethyl)-1,3,2-dioxathiane 2,2-dioxide?
The InChIKey is FYHCLPFGUJXNIH-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H20O6S/c19-25(20)23-14-17(22-12-16-9-5-2-6-10-16)18(24-25)13-21-11-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2/t17-,18+/m1/s1.
What are the key properties of (4S,5R)-5-phenylmethoxy-4-(phenylmethoxymethyl)-1,3,2-dioxathiane 2,2-dioxide?
(4S,5R)-5-phenylmethoxy-4-(phenylmethoxymethyl)-1,3,2-dioxathiane 2,2-dioxide has a molecular weight of 364.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-phenylmethoxy-4-(phenylmethoxymethyl)-1,3,2-dioxathiane 2,2-dioxide is sourced from PubChem (CID 11325992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).