Cas no 52795-55-8 (1,3,4-Nonadecanetriol, 2-amino-, (2S,3S,4R)-)
52795-55-8 structure
Product Name:1,3,4-Nonadecanetriol, 2-amino-, (2S,3S,4R)-
CAS No:52795-55-8
MF:C19H41NO3
MW:331.533746480942
CID:358778
PubChem ID:11142142
Update Time:2025-04-19
1,3,4-Nonadecanetriol, 2-amino-, (2S,3S,4R)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,4-Nonadecanetriol, 2-amino-, (2S,3S,4R)-
- (2S,3S,4R)-2-aminononadecane-1,3,4-triol
- 52795-55-8
- DTXSID80456763
- SCHEMBL12279953
-
- Inchi: 1S/C19H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)19(23)17(20)16-21/h17-19,21-23H,2-16,20H2,1H3/t17-,18+,19-/m0/s1
- InChI Key: PEOMDOQZOYXEHH-OTWHNJEPSA-N
- SMILES: O[C@@H]([C@H]([C@H](CO)N)O)CCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 331.30883
- Monoisotopic Mass: 331.30864417g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 17
- Complexity: 239
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.2
- Topological Polar Surface Area: 86.7?2
Experimental Properties
- PSA: 86.71
1,3,4-Nonadecanetriol, 2-amino-, (2S,3S,4R)- Related Literature
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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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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
52795-55-8 (1,3,4-Nonadecanetriol, 2-amino-, (2S,3S,4R)-) Related Products
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