Basic information
- CAS
158250-57-8- Standard SMILES
CC(=O)OC[C@H]1OC(OC(=N)C(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
IBUZGVQIKARDAF-JABUTEAWSA-N- Molecular formula
- C16H20Cl3NO10
- Average molar mass
- 492.7 g/mol
- Monoisotopic mass
- 491.015279
Names & identifiers
- Preferred name
- (2R,3R,4S,5S)-2-(Acetoxymethyl)-6-(2,2,2-trichloro-1-iminoethoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
- IUPAC
- [(2R,3R,4S,5S)-3,4,5-triacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate
- English name
- 2,3,4,6-Tetra-O-acetyl-α-D-mannopyranosyl trichloroacetimidate
- Molecular formula
- C16H20Cl3NO10
- Molecular weight
- 492.69
Names & synonyms
(2R,3R,4S,5S)-2-(Acetoxymethyl)-6-(2,2,2-trichloro-1-iminoethoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate158250-57-8[(2R,3R,4S,5S)-3,4,5-triacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetateSCHEMBL8515524MFCD08703920SY4537152,3,4,6-Tetra-O-acetyl-D-mannopyranosyl Trichloroacetimidate2,3,4,6-Tetra-O-acetyl-α-D-mannopyranosyl trichloroacetimidate
Database identifiers
- CAS
158250-57-8- PubChem CID
- 11363879
- Nikkaji
- J1.663.726B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 695
Physicochemical properties
- Boiling point
- 463.341 · 463.341±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.558 · 1.558±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.389 · 1.389±0.70(predicted)
Chemistry & industry
Suppliers12 total
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
上海汇凯化学科技有限公司021-61995394 18916691159 · [email protected]
武汉开诺医药科技有限公司18040571231/1402788087
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
济南睿遥明志医疗科技有限公司15662630077 15662630077 · [email protected]
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
济南山目生物医药科技有限公司0531-88821801 15192360884 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
淄博飞阳生物科技有限公司0533-7866336 13573361699 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
西安科展生物科技有限公司18729005399 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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