Cas no 155800-87-6 (6R,8S-Triacontanediol)
6R,8S-Triacontanediol structure
Product Name:6R,8S-Triacontanediol
CAS No:155800-87-6
MF:C30H62O2
MW:454.812090396881
CID:2013833
PubChem ID:85096450
Update Time:2025-04-21
6R,8S-Triacontanediol Chemical and Physical Properties
Names and Identifiers
-
- 6R,8S-Triacontanediol
- triacontane-6,8-diol
- 6,8-triacontanediol
- erythro-6,8-Triacontanediol
- rel-(6R,8S)-6,8-Triacontanediol
- 155800-87-6
- DTXSID401305168
-
- Inchi： 1S/C30H62O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-30(32)28-29(31)26-24-6-4-2/h29-32H,3-28H2,1-2H3
- InChI Key： QJKICUPQKNEBFJ-UHFFFAOYSA-N
- SMILES： OC(CC(CCCCC)O)CCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 454.47498122g/mol
- Monoisotopic Mass: 454.47498122g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 32
- Rotatable Bond Count: 27
- Complexity: 331
- 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: 13.2
- Topological Polar Surface Area: 40.5?2
6R,8S-Triacontanediol Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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