Basic information
- CAS
17327-07-0- Standard SMILES
COC1OC2COC(c3ccccc3)OC2C(O)C1NC(C)=O- InChIKey
XCDVOAZVARITEI-UHFFFAOYSA-N- Molecular formula
- C16H21NO6
- Average molar mass
- 323.34 g/mol
- Monoisotopic mass
- 323.13688739
Names & identifiers
- Preferred name
- Mls002693953
- IUPAC
- N-(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)acetamide
- English name
- α-D-Glucopyranoside, Methyl 2-(acetylaMino)-2-deoxy-4,6-O-(phenylMethylene)-
- Molecular formula
- C16H21NO6
- Molecular weight
- 323.34
Names & synonyms
MLS00269395317327-07-06619-04-1DTXSID90291445RefChem:357194DTXCID00242589N-(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)acetamideMethyl2-acetamido-4,6-O-benzylidene-2-deoxy-b-D-glucopyranosideNSC75588CHEMBL1870280DTXSID40984678NSC-75588
Show more names
NSC 75588Methyl 2-acetamido-4,6-O-benzylidene-2-deoxy-α-D-glucopyranosideMethyl 2-acetamido-4,6-O-benzylidene-2-deoxy-a-D-glucopyranosideMethyl 2-acetamido-4,6-O-benzylidene-2-deoxy-alpha-D-glucopyranosideMethyl 2-acetamido-2-deoxy-4,6-O-benzylidene-alpha-D-glucopyranosideα-D-Glucopyranoside, Methyl 2-(acetylaMino)-2-deoxy-4,6-O-(phenylMethylene)-1-[4-hydroxy-3-trityloxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dioneN-((4aR,6S,7R,8R,8aS)-8-Hydroxy-6-methoxy-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-7-yl)-acetamide
NSC212135NSC-212135SMR001559890Methyl 2-acetamido-4,6-O-benzylidene-2-deoxyhexopyranosideMethyl 4,6-O-benzylidene-2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranoside
Database identifiers
- CAS
17327-07-0、6619-04-1- PubChem CID
- 253121
- DTXSID
DTXSID90291445- ChEMBL
CHEMBL1870280
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Melting point
- 258 · 258-260 °C
- Boiling point
- 579.36 · 579.360±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.31 · 1.310±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.704 · 12.704±0.70(predicted)
- HS Code
- 9999999999 · 9999999999
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 9999999999
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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