2'-Deoxy-2',2'-difluoro-5'-cytidylic Acid
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2'-Deoxy-2',2'-difluoro-5'-cytidylic Acid
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CAS No:
116371-67-6
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Formula:
C9H12F2N3O7P2.5
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Chemical Name:
2'-Deoxy-2',2'-difluoro-5'-cytidylic Acid
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Synonyms:
2'-Deoxy-2',2'-difluoro-5'-cytidylic Acid;Gemcitabine Monophosphate;2',2'-Difluoro-2'-deoxycytidine 5'-phosphoric acid;2',2'-Difluoro-2'-deoxycytidine-5'-phosphoric acid;Gemcitabine Monophosphate Formate Salt;2'-Deoxy-2',2'-difluoro-5'-cytidylic Acid ForMate;GeMcitabine Monophosphate disodiuM salt Monohydrate;2'-Deoxy-2',2'-difluorocytidine monophosphate formate salt
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CAS No:
Characteristics
166.94000
-0.59040
2.09
151-153°C
618.3ºC at 760 mmHg
327.736ºC
1.681
Hygroscopic, -20°C Freezer, Under Inert Atmosphere
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2'-Deoxy-2',2'-difluoro-5'-cytidylic Acid Use and Manufacturing
Gemcitabine derivative. An antineoplastic agent
Computed Properties
Molecular Weight:343.18
XLogP3:-3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:343.03809305
Monoisotopic Mass:343.03809305
Topological Polar Surface Area:155
Heavy Atom Count:22
Complexity:578
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2'-Deoxy-2',2'-difluoro-5'-cytidylic Acid
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