Cas no 651744-60-4 (L-Aspartic acid, dihexyl ester)
651744-60-4 structure
Product Name:L-Aspartic acid, dihexyl ester
CAS No:651744-60-4
MF:C16H31NO4
MW:301.421645402908
CID:403592
PubChem ID:57252307
Update Time:2025-04-19
L-Aspartic acid, dihexyl ester Chemical and Physical Properties
Names and Identifiers
-
- L-Aspartic acid, dihexyl ester
- dihexyl (2S)-2-aminobutanedioate
- l-aspartic acid dihexyl ester
- 651744-60-4
- DTXSID40720674
- Dihexyl L-aspartate
- SCHEMBL2283596
-
- Inchi： 1S/C16H31NO4/c1-3-5-7-9-11-20-15(18)13-14(17)16(19)21-12-10-8-6-4-2/h14H,3-13,17H2,1-2H3/t14-/m0/s1
- InChI Key： QSWJYEUZCGTSSB-AWEZNQCLSA-N
- SMILES： O(C([C@H](CC(=O)OCCCCCC)N)=O)CCCCCC
Computed Properties
- Exact Mass: 301.22543
- Monoisotopic Mass: 301.22530847g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 15
- Complexity: 282
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 78.6?2
Experimental Properties
- PSA: 78.62
L-Aspartic acid, dihexyl ester Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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