Cas no 61365-15-9 (L-Aspartic acid, L-asparaginyl-)
61365-15-9 structure
Product Name:L-Aspartic acid, L-asparaginyl-
CAS No:61365-15-9
MF:C8H13N3O6
MW:247.205322027206
CID:482213
PubChem ID:25145403
Update Time:2025-04-19
L-Aspartic acid, L-asparaginyl- Chemical and Physical Properties
Names and Identifiers
-
- L-Aspartic acid, L-asparaginyl-
- (2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]butanedioic acid
- Asparagine Aspartate dipeptide
- N-D
- 61365-15-9
- L-Asparaginyl-L-Aspartate
- Asparagine-Aspartate dipeptide
- Q27140505
- Asparaginyl-Aspartic acid
- Asn-Asp
- Asparaginylaspartic acid
- ND dipeptide
- Asparagyl-asparaginsaure
- Asparaginylaspartate
- N-D Dipeptide
- L-asparaginyl-L-aspartic acid
- CHEBI:73419
- L-Asn-L-Asp
- DTXSID90648859
-
- Inchi: 1S/C8H13N3O6/c9-3(1-5(10)12)7(15)11-4(8(16)17)2-6(13)14/h3-4H,1-2,9H2,(H2,10,12)(H,11,15)(H,13,14)(H,16,17)/t3-,4-/m0/s1
- InChI Key: HZYFHQOWCFUSOV-IMJSIDKUSA-N
- SMILES: O=C([C@H](CC(N)=O)N)N[C@H](C(=O)O)CC(=O)O
Computed Properties
- Exact Mass: 247.08049
- Monoisotopic Mass: 247.08043514g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 342
- 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
- XLogP3: -5.6
- Topological Polar Surface Area: 173?2
Experimental Properties
- PSA: 172.81
- LogP: -5.73
L-Aspartic acid, L-asparaginyl- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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