Cas no 63069-06-7 ( )
structure
Product Name:
CAS No:63069-06-7
MF:C6H11NO5
MW:177.155242204666
CID:958649
PubChem ID:314107
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 2-amino-3-hydroxyhexanedioic acid
- SCHEMBL8746959
- 63069-06-7
- DTXSID80310710
- NSC-230435
- NSC230435
-
-
- Inchi： 1S/C6H11NO5/c7-5(6(11)12)3(8)1-2-4(9)10/h3,5,8H,1-2,7H2,(H,9,10)(H,11,12)
- InChI Key： AYIAXWLBJPKQAO-UHFFFAOYSA-N
- SMILES： OC(C(C(=O)O)N)CCC(=O)O
Computed Properties
- Exact Mass: 177.06373
- Monoisotopic Mass: 177.06372245g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 181
- 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
- XLogP3: -4.1
- Topological Polar Surface Area: 121?2
Experimental Properties
- PSA: 120.85
Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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4. 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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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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