Cas no 155800-88-7 ((6R*,8S*)-6,8-Hentriacontanediol)
155800-88-7 structure
Product Name:(6R*,8S*)-6,8-Hentriacontanediol
CAS No:155800-88-7
MF:C31H64O2
MW:468.838670730591
CID:2010852
PubChem ID:101664408
Update Time:2025-04-21
(6R*,8S*)-6,8-Hentriacontanediol Chemical and Physical Properties
Names and Identifiers
-
- (6R*,8S*)-6,8-Hentriacontanediol
- hentriacontane-6,8-diol
- 155800-88-7
- rel-(6R,8S)-6,8-Hentriacontanediol
- DTXSID001296214
- CHEBI:185545
- 6,8-hentriacontanediol
- erythro-6,8-Hentriacontanediol
-
- Inchi： 1S/C31H64O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-31(33)29-30(32)27-25-6-4-2/h30-33H,3-29H2,1-2H3/t30-,31+/m1/s1
- InChI Key： QNOXEINYPHZJBN-JSOSNVBQSA-N
- SMILES： O[C@H](C[C@@H](CCCCC)O)CCCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 468.49063128g/mol
- Monoisotopic Mass: 468.49063128g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 33
- Rotatable Bond Count: 28
- Complexity: 344
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 13.8
- Topological Polar Surface Area: 40.5?2
(6R*,8S*)-6,8-Hentriacontanediol Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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