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95061-51-1 molecular structure
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(1S)-2-hydroxy-1,2,2-triphenylethyl acetate

ChemBase ID: 797627
Molecular Formular: C22H20O3
Molecular Mass: 332.3924
Monoisotopic Mass: 332.1412445
SMILES and InChIs

SMILES:
O(C(=O)C)[C@H](C(c1ccccc1)(c1ccccc1)O)c1ccccc1
Canonical SMILES:
CC(=O)O[C@H](C(c1ccccc1)(c1ccccc1)O)c1ccccc1
InChI:
InChI=1S/C22H20O3/c1-17(23)25-21(18-11-5-2-6-12-18)22(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,1H3/t21-/m0/s1
InChIKey:
GXLZCXZLVDUDHP-NRFANRHFSA-N

Cite this record

CBID:797627 http://www.chembase.cn/molecule-797627.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S)-2-hydroxy-1,2,2-triphenylethyl acetate
IUPAC Traditional name
(1S)-2-hydroxy-1,2,2-triphenylethyl acetate
Synonyms
(S)-2-Hydroxy-1,2,2-triphenylethyl acetate
CAS Number
95061-51-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O9213 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O9213 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.365659  H Acceptors
H Donor LogD (pH = 5.5) 4.3104486 
LogD (pH = 7.4) 4.3104444  Log P 4.310449 
Molar Refractivity 96.9739 cm3 Polarizability 38.271957 Å3
Polar Surface Area 46.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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