F1507-0115
Basic information
- CAS
50729-97-0- Standard SMILES
CC(=O)NC1C(Oc2ccc(Cl)cc2)OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O- InChIKey
WYEQTOCFACZKOK-UHFFFAOYSA-N- Molecular formula
- C20H24ClNO9
- Average molar mass
- 457.9 g/mol
- Monoisotopic mass
- 457.113959
Names & identifiers
- Preferred name
- F1507-0115
- IUPAC
- [5-acetamido-3,4-diacetyloxy-6-(4-chlorophenoxy)oxan-2-yl]methyl acetate
- English name
- 4'-Chlorophenyl 2-acetamido-3,4,6-tetra-O-acetyl-2-deoxy-beta-D-glucopyranoside
- Molecular formula
- C20H24ClNO9
- Molecular weight
- 457.86
Names & synonyms
50729-97-0F1507-0115DTXSID40393988RefChem:345380DTXCID30344848[5-acetamido-3,4-diacetyloxy-6-(4-chlorophenoxy)oxan-2-yl]methyl acetate1094814-79-5[3,4-bis(acetyloxy)-6-(4-chlorophenoxy)-5-acetamidooxan-2-yl]methyl acetate4'-Chlorophenyl 2-acetamido-3,4,6-tetra-O-acetyl-2-Deoxy-beta-d-glucopyranoside4-Chlorophenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxyhexopyranosideSTK950928AKOS001176751
Show more names
p-Chlorophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside triacetate4-Chlorophenyl2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranoside4-Chlorophenyl-2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranosidep-Chlorophenyl 2-acetamido-2-deoxy-3,4,6-tri-O-acetyl-beta-D-glucopyranoside4'-CHLOROPHENYL 2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE4-Chlorophenyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside 3,4,6-triacetateβ-D-Glucopyranoside, 4-chlorophenyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate4''-CHLOROPHENYL 2-ACETAMIDO-3,4,6-TETRA-O-ACETYL-2-DEOXY-SS-D-GLUCOPYRANOSIDEacetic acid [5-acetamido-3,4-diacetyloxy-6-(4-chlorophenoxy)-2-oxanyl]methyl ester
AKOS016295637[5-acetamido-3,4-diacetyloxy-6-(4-chloranylphenoxy)oxan-2-yl]methyl ethanoate5-acetamido-2-(acetoxymethyl)-6-(4-chlorophenoxy)tetrahydro-2H-pyran-3,4-diyl diacetateST50055700SR-01000908800SR-01000908800-1Z551868984-chlorophenyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxyhexopyranoside
Database identifiers
- CAS
50729-97-0- PubChem CID
- 3596014
- DTXSID
DTXSID40393988
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 665
Physicochemical properties
- Boiling point
- 606.7 ℃ · 606.7℃
- Density
- 1.34 · 1.34
- Flash point
- 321 ℃ · 321℃
- pka
- 13.418 · 13.418±0.70(predicted)
Chemistry & industry
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