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

C30H26O4S — CID 11202502

IUPAC(5S)-3-(benzenesulfinyl)-5-(trityloxymethyl)oxolan-2-one
SMILESO=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1S(=O)c1ccccc1
InChIInChI=1S/C30H26O4S/c31-29-28(35(32)27-19-11-4-12-20-27)21-26(34-29)22-33-30(23-13-5-1-6-14-23,24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-20,26,28H,21-22H2/t26-,28?,35?/m0/s1
InChIKeyIPDPMDMVMLYKLF-HLNXFJMYSA-N
MW482.60 g/mol
LogP5.49
Rot. Bonds8

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

(5S)-3-(benzenesulfinyl)-5-(trityloxymethyl)oxolan-2-one (PubChem CID 11202502) has the molecular formula C30H26O4S and a molecular weight of 482.60 g/mol. Its IUPAC name is (5S)-3-(benzenesulfinyl)-5-(trityloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-3-(benzenesulfinyl)-5-(trityloxymethyl)oxolan-2-one
PubChem CID11202502
Molecular FormulaC30H26O4S
Molecular Weight482.60 g/mol
Exact Mass482.16
IUPAC Name(5S)-3-(benzenesulfinyl)-5-(trityloxymethyl)oxolan-2-one
SMILESO=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1S(=O)c1ccccc1
InChIInChI=1S/C30H26O4S/c31-29-28(35(32)27-19-11-4-12-20-27)21-26(34-29)22-33-30(23-13-5-1-6-14-23,24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-20,26,28H,21-22H2/t26-,28?,35?/m0/s1
InChIKeyIPDPMDMVMLYKLF-HLNXFJMYSA-N
XLogP5.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.60
LogP ≤ 55.49
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

(3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one
CID 15478722
(3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one
CID 11155064
(5S)-3-(benzenesulfinyl)-3-fluoro-5-(trityloxymethyl)oxolan-2-one
CID 11364066
5-(trityloxymethyl)-1,3-oxazolidin-2-one
CID 10109102
4-hydroxy-3-(1-hydroxyhexyl)-6-(trityloxymethyl)oxan-2-one
CID 163074925
(3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one
CID 102593831
4-(trityloxymethyl)trioxolane
CID 19758940
(3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one
CID 11632443
(3S,4R,5R)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one
CID 10949057
(5R)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-one
CID 10786507
[(2R,3R,4S,5R,6S)-6-(benzenesulfinyl)-4,5-bis(2,2-dimethylpropanoyloxy)-2-(trityloxymethyl)oxan-3-yl] 2,2-dimethylpropanoate
CID 11814727
(2S,3S,5S)-3-fluoro-5-(trityloxymethyl)oxolan-2-ol
CID 14859660

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(benzenesulfinyl)-5-(trityloxymethyl)oxolan-2-one?
The IUPAC name of (5S)-3-(benzenesulfinyl)-5-(trityloxymethyl)oxolan-2-one (CID 11202502) is (5S)-3-(benzenesulfinyl)-5-(trityloxymethyl)oxolan-2-one.
What is the SMILES notation for (5S)-3-(benzenesulfinyl)-5-(trityloxymethyl)oxolan-2-one?
The canonical SMILES for (5S)-3-(benzenesulfinyl)-5-(trityloxymethyl)oxolan-2-one is O=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1S(=O)c1ccccc1.
What is the InChIKey of (5S)-3-(benzenesulfinyl)-5-(trityloxymethyl)oxolan-2-one?
The InChIKey is IPDPMDMVMLYKLF-HLNXFJMYSA-N. The full InChI is InChI=1S/C30H26O4S/c31-29-28(35(32)27-19-11-4-12-20-27)21-26(34-29)22-33-30(23-13-5-1-6-14-23,24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-20,26,28H,21-22H2/t26-,28?,35?/m0/s1.
What are the key properties of (5S)-3-(benzenesulfinyl)-5-(trityloxymethyl)oxolan-2-one?
(5S)-3-(benzenesulfinyl)-5-(trityloxymethyl)oxolan-2-one has a molecular weight of 482.60 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(benzenesulfinyl)-5-(trityloxymethyl)oxolan-2-one is sourced from PubChem (CID 11202502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).