2,2-Bis(bromomethyl)-1,3-propanediol
PubChem CID: 18692
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| Compound Synonyms | 3296-90-0, 2,2-Bis(bromomethyl)propane-1,3-diol, 2,2-BIS(BROMOMETHYL)-1,3-PROPANEDIOL, Dibromoneopentyl glycol, Pentaerythritol dibromide, Dibromopentaerythritol, 1,3-Propanediol, 2,2-bis(bromomethyl)-, Pentaerythritol dibromohydrin, FR 1138, NCI-C55516, 1,3-Dibromo-2,2-dimethylolpropane, 2,2-Dibromomethyl-1,3-propanediol, NSC 9001, DBNPG, DTXSID9020164, 2,2-Bis(2-bromomethyl)-1,3-propanediol, 1,3-Propanediol, 2,2-bis(2-bromomethyl)-, 1,3-Dibromo-2,2-dihydroxymethylpropane, 2,2-Bis(bromomethyl)-1,3-propanediol, technical grade, CHEBI:82294, Fr 522, 4ZHG182S25, NSC-9001, 1,3-dibromo-2,2-bis(hydroxymethyl)propane, Pentaerythritol-d8Dibromide, DTXCID50164, CAS-3296-90-0, CCRIS 5972, HSDB 4184, EINECS 221-967-7, BRN 1304582, UNII-4ZHG182S25, dibromoneopentylglycol, MFCD00004688, beta-Fructofuranosidase, 1,2-dimethylolpropane, EC 221-967-7, Pentaerythritol, dibromohydrin, WLN: Q1X2E2E1Q, 4-01-00-02554 (Beilstein Handbook Reference), 1, 2,2-bis(bromomethyl)-, SCHEMBL399680, CHEMBL1407005, CHUGKEQJSLOLHL-UHFFFAOYSA-, 1, 2,2-bis(2-bromomethyl)-, NSC9001, Tox21_201856, Tox21_300296, 2,2-bisbromomethylpropane-1,3-diol, BR1298, AKOS005765877, PENTAERYTHRITOL DIBROMIDE [HSDB], 1,3-Propanediol, 2,2-bis(bromomethyl), 2,2-bis(bromomethyl) 1,3-propane diol, 2,2-bis-(bromomethyl)propane-1,3-diol, NCGC00090690-01, NCGC00090690-02, NCGC00090690-03, NCGC00090690-04, NCGC00254196-01, NCGC00259405-01, AS-12581, CS-0204802, D1808, NS00007621, EN300-78451, 2,2-Bis(bromomethyl)-1,3-propanediol, 98%, C19199, Q26841193, F0001-0977, InChI=1/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | CHUGKEQJSLOLHL-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | b-D-Fructofuranoside fructohydrolase, E.C. 3.2.1.26, E1103, Invertase, Saccharase |
| Heavy Atom Count | 9.0 |
| Compound Name | 2,2-Bis(bromomethyl)-1,3-propanediol |
| Description | It is used in production of invert sugar from sucrose. Hydrolyses terminal non-reducing b-D-fructofuranoside residues in b-D-fructofuranosides. beta-Fructofuranosidase is found in many foods, some of which are soy bean, red beetroot, carrot, and french plantain. |
| Exact Mass | 261.903 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 259.905 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 67.4 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 261.94 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2-bis(bromomethyl)propane-1,3-diol |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2 |
| Smiles | C(C(CO)(CBr)CBr)O |
| Xlogp | 0.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C5H10Br2O2 |
- 1. Outgoing r'ship
FOUND_INto/from Beta Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Phoenix Dactylifera (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Prunus Armeniaca (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Theobroma Cacao (Plant) Rel Props:Source_db:fooddb_chem_all