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144490-03-9 molecular structure
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[(2S,3S,4S,5R)-3,4,5-tris(acetyloxy)oxolan-2-yl]methyl acetate

ChemBase ID: 103542
Molecular Formular: C13H18O9
Molecular Mass: 318.27662
Monoisotopic Mass: 318.09508216
SMILES and InChIs

SMILES:
O=C(O[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H]1OC(=O)C)COC(=O)C)C
Canonical SMILES:
CC(=O)OC[C@@H]1O[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
InChI:
InChI=1S/C13H18O9/c1-6(14)18-5-10-11(19-7(2)15)12(20-8(3)16)13(22-10)21-9(4)17/h10-13H,5H2,1-4H3/t10-,11-,12-,13-/m0/s1
InChIKey:
IHNHAHWGVLXCCI-CYDGBPFRSA-N

Cite this record

CBID:103542 http://www.chembase.cn/molecule-103542.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2S,3S,4S,5R)-3,4,5-tris(acetyloxy)oxolan-2-yl]methyl acetate
IUPAC Traditional name
[(2S,3S,4S,5R)-3,4,5-tris(acetyloxy)oxolan-2-yl]methyl acetate
Synonyms
1,2,3,5-Tetra-O-acetyl-β-L-ribofuranose
β-L-Ribofuranose 1,2,3,5-tetra-O-acetate
β-D-Ribofuranose 1,2,3,5-tetraacetate
1,2,3,5-TETRA-O-ACETYL-β-D-RIBOFURANOSE
1,2,3,5-TETRA-O-ACETYL-β-L-RIBOFURANOSE
1,2,3,5-四-O-乙酰基-β-L-呋喃核糖
β-L-呋喃核糖 1,2,3,5-四-O-乙酸酯
CAS Number
144490-03-9
13035-61-5
EC Number
235-898-5
PubChem SID
162090403
24888694
PubChem CID
908100

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 908100 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.5377026  LogD (pH = 7.4) -0.5377026 
Log P -0.5377026  Molar Refractivity 66.5669 cm3
Polarizability 28.05088 Å3 Polar Surface Area 114.43 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
80-83 °C expand Show data source
Optical Rotation
[α]20/D +12.5±0.5°, c = 2.4% in chloroform expand Show data source
Storage Condition
2-8°C expand Show data source
Room Temperature (15-30°C) expand Show data source
MSDS Link
Download expand Show data source
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
≥95% expand Show data source
≥99.0% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C13H18O9 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 86562 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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