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JVA

Summary
Name:2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-D-glycero-D-manno-heptitol
Formula:C7 H14 F O7 P
Formal charge:0
Formula weight:260.154 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-D-glycero-D-manno-heptitol
OpenEye OEToolkits2.0.6[(2~{S},3~{S},4~{S},5~{S},6~{R})-3-fluoranyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]methylphosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(OC(C(C(C1F)O)O)CO)CP(O)(O)=O
InChIInChI1.03InChI=1S/C7H14FO7P/c8-5-4(2-16(12,13)14)15-3(1-9)6(10)7(5)11/h3-7,9-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-,7-/m1/s1
InChIKeyInChI1.03CDQMFQZEPGCBTC-NYMZXIIRSA-N
SMILES_CANONICALCACTVS3.385OC[C@H]1O[C@H](C[P](O)(O)=O)[C@@H](F)[C@@H](O)[C@@H]1O
SMILESCACTVS3.385OC[CH]1O[CH](C[P](O)(O)=O)[CH](F)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.6C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CP(=O)(O)O)F)O)O)O
SMILESOpenEye OEToolkits2.0.6C(C1C(C(C(C(O1)CP(=O)(O)O)F)O)O)O

227344

数据于2024-11-13公开中

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