(5S)-3-(benzenesulfinyl)-3-fluoro-5-(trityloxymethyl)oxolan-2-one

C30H25FO4S — CID 11364066

IUPAC(5S)-3-(benzenesulfinyl)-3-fluoro-5-(trityloxymethyl)oxolan-2-one
SMILESO=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1(F)S(=O)c1ccccc1
InChIInChI=1S/C30H25FO4S/c31-29(36(33)27-19-11-4-12-20-27)21-26(35-28(29)32)22-34-30(23-13-5-1-6-14-23,24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-20,26H,21-22H2/t26-,29?,36?/m0/s1
InChIKeyPQANLDWYSKKQIK-IDJSCRBRSA-N
MW500.59 g/mol
LogP5.78
Rot. Bonds8

About (5S)-3-(benzenesulfinyl)-3-fluoro-5-(trityloxymethyl)oxolan-2-one

(5S)-3-(benzenesulfinyl)-3-fluoro-5-(trityloxymethyl)oxolan-2-one (PubChem CID 11364066) has the molecular formula C30H25FO4S and a molecular weight of 500.59 g/mol. Its IUPAC name is (5S)-3-(benzenesulfinyl)-3-fluoro-5-(trityloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-3-(benzenesulfinyl)-3-fluoro-5-(trityloxymethyl)oxolan-2-one
PubChem CID11364066
Molecular FormulaC30H25FO4S
Molecular Weight500.59 g/mol
Exact Mass500.15
IUPAC Name(5S)-3-(benzenesulfinyl)-3-fluoro-5-(trityloxymethyl)oxolan-2-one
SMILESO=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1(F)S(=O)c1ccccc1
InChIInChI=1S/C30H25FO4S/c31-29(36(33)27-19-11-4-12-20-27)21-26(35-28(29)32)22-34-30(23-13-5-1-6-14-23,24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-20,26H,21-22H2/t26-,29?,36?/m0/s1
InChIKeyPQANLDWYSKKQIK-IDJSCRBRSA-N
XLogP5.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.59
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(5S)-3-(benzenesulfinyl)-5-(trityloxymethyl)oxolan-2-one
CID 11202502
(5R)-3,3-difluoro-5-(trityloxymethyl)oxolan-2-ol
CID 123952191
5-(trityloxymethyl)-1,3-oxazolidin-2-one
CID 10109102
(3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one
CID 15478722
(3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one
CID 102593831
(3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one
CID 11155064
(3S,4R,5R)-3,4-dihydroxy-3-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-one
CID 134934788
4-(trityloxymethyl)trioxolane
CID 19758940
(5R)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-one
CID 10786507
(2S,3S,5S)-3-fluoro-5-(trityloxymethyl)oxolan-2-ol
CID 14859660
(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 178184681
(5S)-3-(pyrrolidin-1-ylmethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one;sulfane
CID 160847455

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(benzenesulfinyl)-3-fluoro-5-(trityloxymethyl)oxolan-2-one?
The IUPAC name of (5S)-3-(benzenesulfinyl)-3-fluoro-5-(trityloxymethyl)oxolan-2-one (CID 11364066) is (5S)-3-(benzenesulfinyl)-3-fluoro-5-(trityloxymethyl)oxolan-2-one.
What is the SMILES notation for (5S)-3-(benzenesulfinyl)-3-fluoro-5-(trityloxymethyl)oxolan-2-one?
The canonical SMILES for (5S)-3-(benzenesulfinyl)-3-fluoro-5-(trityloxymethyl)oxolan-2-one is O=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1(F)S(=O)c1ccccc1.
What is the InChIKey of (5S)-3-(benzenesulfinyl)-3-fluoro-5-(trityloxymethyl)oxolan-2-one?
The InChIKey is PQANLDWYSKKQIK-IDJSCRBRSA-N. The full InChI is InChI=1S/C30H25FO4S/c31-29(36(33)27-19-11-4-12-20-27)21-26(35-28(29)32)22-34-30(23-13-5-1-6-14-23,24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-20,26H,21-22H2/t26-,29?,36?/m0/s1.
What are the key properties of (5S)-3-(benzenesulfinyl)-3-fluoro-5-(trityloxymethyl)oxolan-2-one?
(5S)-3-(benzenesulfinyl)-3-fluoro-5-(trityloxymethyl)oxolan-2-one has a molecular weight of 500.59 g/mol, XLogP of 5.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(benzenesulfinyl)-3-fluoro-5-(trityloxymethyl)oxolan-2-one is sourced from PubChem (CID 11364066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).