(3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one

C24H22O4 — CID 15478722

IUPAC(3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one
SMILESO=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H]1O
InChIInChI=1S/C24H22O4/c25-22-16-21(28-23(22)26)17-27-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22,25H,16-17H2/t21-,22-/m0/s1
InChIKeyKJJWSIAUQRQBFL-VXKWHMMOSA-N
MW374.44 g/mol
LogP3.67
Rot. Bonds6

About (3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one

(3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one (PubChem CID 15478722) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one
PubChem CID15478722
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name(3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one
SMILESO=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H]1O
InChIInChI=1S/C24H22O4/c25-22-16-21(28-23(22)26)17-27-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22,25H,16-17H2/t21-,22-/m0/s1
InChIKeyKJJWSIAUQRQBFL-VXKWHMMOSA-N
XLogP3.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one
CID 11155064
(5S)-3-(benzenesulfinyl)-5-(trityloxymethyl)oxolan-2-one
CID 11202502
4-hydroxy-3-(1-hydroxyhexyl)-6-(trityloxymethyl)oxan-2-one
CID 163074925
5-(trityloxymethyl)-1,3-oxazolidin-2-one
CID 10109102
(2S,3S,5S)-3-fluoro-5-(trityloxymethyl)oxolan-2-ol
CID 14859660
(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 178184681
(3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one
CID 102593831
3-(trityloxymethyl)cyclobutan-1-ol
CID 14796870
(2S,4S,5R)-5-(trityloxymethyl)oxolane-2,4-diol
CID 171126516
(5R)-3,3-difluoro-5-(trityloxymethyl)oxolan-2-ol
CID 123952191
(3S,4R,5R)-3,4-dihydroxy-3-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-one
CID 134934788
2-[(4R,6S)-2,2-dimethyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]acetic acid
CID 18716197

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one?
The IUPAC name of (3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one (CID 15478722) is (3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one.
What is the SMILES notation for (3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one?
The canonical SMILES for (3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one is O=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H]1O.
What is the InChIKey of (3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one?
The InChIKey is KJJWSIAUQRQBFL-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H22O4/c25-22-16-21(28-23(22)26)17-27-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22,25H,16-17H2/t21-,22-/m0/s1.
What are the key properties of (3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one?
(3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one has a molecular weight of 374.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one is sourced from PubChem (CID 15478722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).