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CDI

Summary
Name:2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE
Formula:C5 H12 O9 P2
Formal charge:0
Formula weight:278.091 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R,4S,6S,7R)-6-(hydroxymethyl)-6-methyl-1,3,5,2,4-trioxadiphosphocane-2,4,7-triol 2,4-dioxide
OpenEye OEToolkits1.5.0(2R,4S,6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-6-methyl-2,4-dioxo-1,3,5-trioxa-2$l^{5},4$l^{5}-diphosphacyclooctan-7-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P1(OP(=O)(OCC(O)C(O1)(C)CO)O)O
SMILES_CANONICALCACTVS3.341C[C@@]1(CO)O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]1O
SMILESCACTVS3.341C[C]1(CO)O[P](O)(=O)O[P](O)(=O)OC[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@]1([C@@H](CO[P@](=O)(O[P@](=O)(O1)O)O)O)CO
SMILESOpenEye OEToolkits1.5.0CC1(C(COP(=O)(OP(=O)(O1)O)O)O)CO
InChIInChI1.03InChI=1S/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m1/s1
InChIKeyInChI1.03SFRQRNJMIIUYDI-UHNVWZDZSA-N

218853

PDB entries from 2024-04-24

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