Cas no 15430-94-1 (D-Mannitol,1-bromo-1-deoxy-)
D-Mannitol,1-bromo-1-deoxy- structure
Product Name:D-Mannitol,1-bromo-1-deoxy-
CAS No:15430-94-1
MF:C6H13BrO5
MW:245.068422079086
CID:178567
PubChem ID:23619278
Update Time:2025-04-19
D-Mannitol,1-bromo-1-deoxy- Chemical and Physical Properties
Names and Identifiers
-
- D-Mannitol,1-bromo-1-deoxy-
- 6-Bromo-6-deoxy-D-mannitol
- 6-bromohexane-1,2,3,4,5-pentol
- (2R,3R,4S,5S)-6-bromohexane-1,2,3,4,5-pentol
- 15430-94-1
-
- Inchi： 1S/C6H13BrO5/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,8-12H,1-2H2/t3-,4-,5-,6-/m1/s1
- InChI Key： IBXOWOYVOOTHAW-KVTDHHQDSA-N
- SMILES： BrC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Computed Properties
- Exact Mass: 243.99459
- Monoisotopic Mass: 243.994636
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 123
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _1.7
- Topological Polar Surface Area: 101
Experimental Properties
- Density: 1.888
- Boiling Point: 543.9°C at 760 mmHg
- Flash Point: 282.7°C
- Refractive Index: 1.611
- PSA: 101.15
D-Mannitol,1-bromo-1-deoxy- Related Literature
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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