(Q27125822)

inferred from isomeric SMILES

1 February 2021

mass

275.98110231982 dalton

1 reference

based on heuristic

chemical formula

C₅H₁₀O₉P₂²⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1(C(COP(=O)(OP(=O)(O1)[O-])[O-])O)CO

1 reference

2-C-methyl-D-erythritol 2,4-cyclic diphosphate (English)

6 October 2016

isomeric SMILES

C[C@@]1([C@@H](COP(=O)(OP(=O)(O1)[O-])[O-])O)CO

1 reference

2-C-methyl-D-erythritol 2,4-cyclic diphosphate (English)

InChI=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)/p-2/t4-,5+/m1/s1

6 October 2016

Identifiers

InChI

1 reference

2-C-methyl-D-erythritol 2,4-cyclic diphosphate (English)

SFRQRNJMIIUYDI-UHNVWZDZSA-L

6 October 2016

InChIKey

2 references

2-C-methyl-D-erythritol 2,4-cyclic diphosphate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(6S,7R)-7-Hydroxy-6-(hydroxymethyl)-6-methyl-1,3,5,2,4-trioxadiphosphocane-2,4-diolate 2,4-dioxide (English)

6 October 2016

1 reference

2-C-methyl-D-erythritol 2,4-cyclic diphosphate (English)

6 October 2016

Reaxys registry number

9070121

1 reference

2-C-methyl-D-erythritol 2,4-cyclic diphosphate(2-) (English)

6 October 2016

ChEBI ID

58483

mapping relation type

1 reference