(4R,5S)-4,5-diphenyl-1,3,2-dioxathiolane 2,2-dioxide

C14H12O4S — CID 10492701

IUPAC(4R,5S)-4,5-diphenyl-1,3,2-dioxathiolane 2,2-dioxide
SMILESO=S1(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C14H12O4S/c15-19(16)17-13(11-7-3-1-4-8-11)14(18-19)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+
InChIKeyZRHYPUWGNKZMRW-OKILXGFUSA-N
MW276.31 g/mol
LogP2.76
Rot. Bonds2

About (4R,5S)-4,5-diphenyl-1,3,2-dioxathiolane 2,2-dioxide

(4R,5S)-4,5-diphenyl-1,3,2-dioxathiolane 2,2-dioxide (PubChem CID 10492701) has the molecular formula C14H12O4S and a molecular weight of 276.31 g/mol. Its IUPAC name is (4R,5S)-4,5-diphenyl-1,3,2-dioxathiolane 2,2-dioxide.

Molecular Properties

Compound Name(4R,5S)-4,5-diphenyl-1,3,2-dioxathiolane 2,2-dioxide
PubChem CID10492701
Molecular FormulaC14H12O4S
Molecular Weight276.31 g/mol
Exact Mass276.05
IUPAC Name(4R,5S)-4,5-diphenyl-1,3,2-dioxathiolane 2,2-dioxide
SMILESO=S1(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C14H12O4S/c15-19(16)17-13(11-7-3-1-4-8-11)14(18-19)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+
InChIKeyZRHYPUWGNKZMRW-OKILXGFUSA-N
XLogP2.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-diphenyl-1,3,2-dioxathiolane 2,2-dioxide?
The IUPAC name of (4R,5S)-4,5-diphenyl-1,3,2-dioxathiolane 2,2-dioxide (CID 10492701) is (4R,5S)-4,5-diphenyl-1,3,2-dioxathiolane 2,2-dioxide.
What is the SMILES notation for (4R,5S)-4,5-diphenyl-1,3,2-dioxathiolane 2,2-dioxide?
The canonical SMILES for (4R,5S)-4,5-diphenyl-1,3,2-dioxathiolane 2,2-dioxide is O=S1(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)O1.
What is the InChIKey of (4R,5S)-4,5-diphenyl-1,3,2-dioxathiolane 2,2-dioxide?
The InChIKey is ZRHYPUWGNKZMRW-OKILXGFUSA-N. The full InChI is InChI=1S/C14H12O4S/c15-19(16)17-13(11-7-3-1-4-8-11)14(18-19)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+.
What are the key properties of (4R,5S)-4,5-diphenyl-1,3,2-dioxathiolane 2,2-dioxide?
(4R,5S)-4,5-diphenyl-1,3,2-dioxathiolane 2,2-dioxide has a molecular weight of 276.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-diphenyl-1,3,2-dioxathiolane 2,2-dioxide is sourced from PubChem (CID 10492701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).