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7355-18-2 molecular structure
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methyl 3,4,5,6-tetrakis(acetyloxy)oxane-2-carboxylate

ChemBase ID: 133231
Molecular Formular: C15H20O11
Molecular Mass: 376.3127
Monoisotopic Mass: 376.10056146
SMILES and InChIs

SMILES:
CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C
Canonical SMILES:
COC(=O)C1OC(OC(=O)C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C
InChI:
InChI=1S/C15H20O11/c1-6(16)22-10-11(23-7(2)17)13(24-8(3)18)15(25-9(4)19)26-12(10)14(20)21-5/h10-13,15H,1-5H3
InChIKey:
DPOQCELSZBSZGX-UHFFFAOYSA-N

Cite this record

CBID:133231 http://www.chembase.cn/molecule-133231.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 3,4,5,6-tetrakis(acetyloxy)oxane-2-carboxylate
IUPAC Traditional name
methyl 3,4,5,6-tetrakis(acetyloxy)oxane-2-carboxylate
Synonyms
Methyl 1,2,3,4-tetra-O-acetyl-β-D-glucuronate
CAS Number
7355-18-2
EC Number
230-880-3
MDL Number
MFCD00069834
PubChem SID
162227508
24897053
PubChem CID
226478

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
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Data Source Data ID
PubChem 226478 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.701869  LogD (pH = 7.4) -0.701869 
Log P -0.701869  Molar Refractivity 77.1659 cm3
Polarizability 32.614796 Å3 Polar Surface Area 140.73 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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
Storage Temperature
2-8°C expand Show data source
Purity
≥98% (GC) expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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