Basic information
- CAS
10318-26-0- Standard SMILES
OC(CBr)C(O)C(O)C(O)CBr- InChIKey
VFKZTMPDYBFSTM-UHFFFAOYSA-N- Molecular formula
- C6H12Br2O4
- Average molar mass
- 307.96 g/mol
- Monoisotopic mass
- 305.91023
Names & identifiers
- Preferred name
- 1,6-Dibromo-1,6-dideoxyhexitol
- IUPAC
- 1,6-dibromohexane-2,3,4,5-tetrol
- English name
- Dibromodulcitol
- Molecular formula
- C6H12Br2O4
- Molecular weight
- 307.96
Names & synonyms
1,6-Dibromo-1,6-dideoxyhexitolDTXSID3048158688007-15-0RefChem:1053499DTXCID3028134NSC616232WLN: E1YQYQYQYQ1EDibromannitol1,6-dibromohexane-2,3,4,5-tetrol35827-62-4DBDDibromogalactitol
Show more names
NSC104800NSC 104800NSC-104800DibromdulcitDibromdulcitolDibromodulcitol1,6-Dibromodulcitol1,6-Dibromodideoxydulcitol1,6-dibromo-1,6-dideoxydulcitol1,6-dibromo-1,6-dideoxygalactitol
D-DibromomannitolR 541,6-Dideoxygalactitol1,6-D-didesoxymannitol1,6-dideoxy-D-galactitolSCHEMBL8456CHEMBL1616571,6-Dibromo-1,6-dideoxy-D-galactitol;1,6-Dibromo-1,6-dideoxy-D-galactitol
Database identifiers
- CAS
10318-26-0、35827-62-4、488-41-5、688007-15-0- PubChem CID
- 4208
- DTXSID
DTXSID3048158- ChEMBL
CHEMBL161657- Nikkaji
- J25.795H
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
LogP-0.24
Physicochemical properties
- Melting point
- 187 · 187-188° (dec)
- Boiling point
- 511.2 · 511.2±50.0 °C(Predicted)
- Density
- 1.8987 · 1.8987 (rough estimate)
- refractive index
- 1.484 · 1.4840 (estimate)
- pka
- 12.61 · 12.61±0.20(Predicted)
- CAS DataBase Reference
- 10318 · 10318-26-0
- FDA UNII
- 2 P1SIK8Y · LJ2P1SIK8Y
- EPA Substance Registry System
- Mitolactol (10318-26-0)
- Toxicity
- 50 in · LD50 in rats (mg/kg): 1400 orally; 470 i.p. (Kellner)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 in rats (mg/kg): 1400 orally; 470 i.p. (Kellner)
Chemistry & industry
Applications
Uses1,6-Dibromodulcitol is an intermediate in the synthesis of Dulcitol Diepoxide (D720515). Dulcitol Diepoxide is a cytostatic drug. Dulcitol Diepoxide can be used for treatment of leukemia, lung cancer, multiple myeloma, and nasopharyngeal carcinoma.
General DescriptionWhite powder. Insoluble in water.
Upstream & downstream products
Upstream raw materials
Suppliers5 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Mitolactol is an alcohol and an organobromine compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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