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61J

Summary
Name:(6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol
Formula:C8 H17 O8 P
Formal charge:0
Formula weight:272.19 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol
OpenEye OEToolkits2.0.72-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]ethyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(C)C(C(C(C(O1)CCOP(=O)O)O)O)O
InChIInChI1.06InChI=1S/C8H17O8P/c1-4-6(9)8(11)7(10)5(16-4)2-3-15-17(12,13)14/h4-11H,2-3H2,1H3,(H2,12,13,14)/t4-,5-,6+,7+,8+/m0/s1
InChIKeyInChI1.06OCKMEQYTTIUDMB-TVNFTVLESA-N
SMILES_CANONICALCACTVS3.385C[C@@H]1O[C@@H](CCO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O
SMILESCACTVS3.385C[CH]1O[CH](CCO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CCOP(=O)(O)O)O)O)O
SMILESOpenEye OEToolkits2.0.7CC1C(C(C(C(O1)CCOP(=O)(O)O)O)O)O

246704

PDB entries from 2025-12-24

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