Acelarin

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Basic information
Standard English name
Cas No. 840506-29-8
Alias benzyl ((((2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4,4-difluoro-3-hydroxytetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate
Canonical Smiles C[C@H](NP(=O)(OC1C=CC=CC=1)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)C(=O)OCC1C=CC=CC=1
MDL No. MFCD27987942
Exact Mass 580.15346
Smiles C[C@H](NP(OC1=CC=CC=C1)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)C(F)(F)[C@@H]2O)=O)C(OCC4=CC=CC=C4)=O
Security information
Character
Storage Condition
Melting Point
Boiling Point 708.4±70.0 °C(Predicted)
Flash Point
Chemical Stability
Density 1.51±0.1 g/cm3(Predicted)
Vapor Pressure
GHS
Signal Word
Dangerous Goods GHS07
Hazard Category H302;H315;H319;H335
Hazard Codes
Prevention Guidelines
Hazard Statements
Safety Instructions P261;P305+P351+P338
Water Solubility
Storage Temp.
Hazardous Decomposition Products
Chirality
Biological Activity
Physicochemical Propertie
Transport Condition
HS Code
UN No.
Feature Warning
Useage
Inchi InChI=1S/C25H27F2N4O8P/c1-16(22(33)36-14-17-8-4-2-5-9-17)30-40(35,39-18-10-6-3-7-11-18)37-15-19-21(32)25(26,27)23(38-19)31-13-12-20(28)29-24(31)34/h2-13,16,19,21,23,32H,14-15H2,1H3,(H,30,35)(H2,28,29,34)/t16-,19+,21+,23+,40?/m0/s1
InchiKey NHTKGYOMICWFQZ-KKQYNPQSSA-N
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