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73968-62-4 molecular structure
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(5S)-5-[(triphenylmethoxy)methyl]oxolan-2-one

ChemBase ID: 147589
Molecular Formular: C24H22O3
Molecular Mass: 358.42968
Monoisotopic Mass: 358.15689456
SMILES and InChIs

SMILES:
c1ccc(cc1)C(c1ccccc1)(c1ccccc1)OC[C@@H]1CCC(=O)O1
Canonical SMILES:
O=C1CC[C@H](O1)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C24H22O3/c25-23-17-16-22(27-23)18-26-24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2/t22-/m0/s1
InChIKey:
OZWWLABCDGFABG-QFIPXVFZSA-N

Cite this record

CBID:147589 http://www.chembase.cn/molecule-147589.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5S)-5-[(triphenylmethoxy)methyl]oxolan-2-one
IUPAC Traditional name
(5S)-5-[(triphenylmethoxy)methyl]oxolan-2-one
Synonyms
5-O-Trityl-2,3-dideoxy-D-glyceropentono-1,4-lactone
(S)-(+)-Dihydro-5-trityloxymethyl-2(3H)-furanone
(S)-(+)-γ-Trityloxymethyl-γ-butyrolactone
(S)-(+)-二氢-5-三苯甲基甲氧基-2(3H)-呋喃酮
(S)-(+)-γ-三苯甲基甲氧基-γ-丁内酯
CAS Number
73968-62-4
MDL Number
MFCD00066260
Beilstein Number
4715758
PubChem SID
24863113
162241776
24889893
PubChem CID
2733809

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2733809 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.319298  LogD (pH = 7.4) 5.319298 
Log P 5.319298  Molar Refractivity 106.072 cm3
Polarizability 41.299053 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
150-152 °C expand Show data source
150-152 °C(lit.) expand Show data source
Optical Rotation
[α]/D +27.0±1.0°, c = 1 in methylene chloride expand Show data source
[α]20/D +28°, c = 1 in methylene chloride expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99.0% (CH) expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Empirical Formula (Hill Notation)
C24H22O3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 371521 external link
Packaging
1 g in glass bottle
250 mg in glass bottle
Sigma Aldrich - 93463 external link
Other Notes
Chiral building block in the synthesis of various compounds1,2,3

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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