Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| January 4th, 2010 |
16 |
No
|
Other Names:
(2S,3S)-Threitol 1,4-bismethanesulfonate;1,4-Dimethanesulfonate(2S,3S)-Threitol;1,4-DimethanesulfonateL-(+ )-Threitol;1,4-DimethanesulfonateL-Threitol;DHB;Dihydroxybusulfan;Dihydroxymyleran;L-Threitol 1,4-dimethanesulfonate;L-Threitol, 1, 4-bis(methanesul
1,2,3,4-Butanetetrol, 1,4-dimethanesulfonate, (R*,S*)-; 1,2,3,4-Butanetetrol, 1,4-dimethanesulfonate, (R-(R*,S*))-; 1,4-Bis(methanesulfonyloxy)-2,3-butanediol; 1,4-Di(methanesulfonate)erythritol; C6H14O8S2; CB 2562; CB 40069; Dimesyl-meso-erythritol; Eryt
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SDF
SMILES
Flexibase
Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
-2.26 |
-7.42 |
-26.2 |
2 |
8 |
0 |
127 |
278.304 |
7 |
↓
|
No pre-computed analogs available. Try a structural similarity search.
