Cas no 131669-35-7 (D-Aspartic acid,N-[(1S)-1,2-dicarboxyethyl]-, rel-)
![D-Aspartic acid,N-[(1S)-1,2-dicarboxyethyl]-, rel- structure](https://ossimg.kuujia.com/scimg/132000/131669-35-7x500.png)
131669-35-7 structure
Product Name:D-Aspartic acid,N-[(1S)-1,2-dicarboxyethyl]-, rel-
CAS No:131669-35-7
MF:C8H11NO8
MW:249.174843072891
CID:216238
PubChem ID:131409
Update Time:2025-04-19
D-Aspartic acid,N-[(1S)-1,2-dicarboxyethyl]-, rel- Chemical and Physical Properties
Names and Identifiers
-
- D-Aspartic acid,N-[(1S)-1,2-dicarboxyethyl]-, rel-
- iminodisuccinic acid
- 2,2'-iminodibutanedioic acid (non-preferred name)
- 131669-35-7
- N-(1,2-Dicarboxyethyl)-DL-aspartic acid
- 2,2'-iminodisuccinic acid
- iminodisuccinate
- imidodisuccinic acid
- NS00095776
- 7408-20-0
- SCHEMBL22019
- 2,2'-Azanediyldibutanedioic acid (non-preferred name)
- DTXSID00861375
- 2,2'-azanediyldisuccinic acid
- UNII-BJZ451DI42
- DL-Aspartic acid, N-(1,2-dicarboxyethyl)-
- PQHYOGIRXOKOEJ-UHFFFAOYSA-N
- BJZ451DI42
- AKOS030524279
- Iminodisuccinic acid [MI]
- 2-(1,2-dicarboxyethylamino)butanedioic acid
- Q27274711
-
- Inchi： 1S/C8H11NO8/c10-5(11)1-3(7(14)15)9-4(8(16)17)2-6(12)13/h3-4,9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)
- InChI Key： PQHYOGIRXOKOEJ-UHFFFAOYSA-N
- SMILES： OC(C(CC(=O)O)NC(C(=O)O)CC(=O)O)=O
Computed Properties
- Exact Mass: 249.04843
- Monoisotopic Mass: 249.048466
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 306
- 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
- Topological Polar Surface Area: 161
- XLogP3: -4.2
Experimental Properties
- Density: 1.676
- Boiling Point: 465.5°Cat760mmHg
- Flash Point: 235.4°C
- Refractive Index: 1.571
- PSA: 161.23
D-Aspartic acid,N-[(1S)-1,2-dicarboxyethyl]-, rel- Related Literature
-
Mingyu Zhi,Yanan Li,Shella Permatasari Santoso,Fangyuan Chen,Guangrong Huang RSC Adv. 2018 8 27157
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