Cas no 389125-56-8 (Halaminol A)
Halaminol A structure
Product Name:Halaminol A
CAS No:389125-56-8
MF:C14H29NO
MW:227.386164426804
CID:2087032
PubChem ID:10059639
Update Time:2024-02-29
Halaminol A Chemical and Physical Properties
Names and Identifiers
-
- Halaminol A
- LMSP01080034
- CHEBI:137092
- CHEMBL443703
- AKOS040734967
- 389125-56-8
- 1-deoxy-tetradecasphing-13-enine
- (2S,3R)-2-aminotetradec-13-en-3-ol
- (+)-Halaminol A
-
- Inchi： 1S/C14H29NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h3,13-14,16H,1,4-12,15H2,2H3/t13-,14+/m0/s1
- InChI Key： KLWPMNOQFSPVII-UONOGXRCSA-N
- SMILES： O[C@@H]([C@H](C)N)CCCCCCCCCC=C
Computed Properties
- Exact Mass: 227.224914549g/mol
- Monoisotopic Mass: 227.224914549g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 11
- Complexity: 159
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 46.2
- XLogP3: 4.2
Experimental Properties
- Color/Form: Oil
Halaminol A Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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