Cas no 27456-63-9 ((2S)-2-aminopentanedioic acid; (2S)-2-aminopropanoic acid; (2S)-2,6-diaminohexanoic acid)
27456-63-9 structure
Product Name:(2S)-2-aminopentanedioic acid; (2S)-2-aminopropanoic acid; (2S)-2,6-diaminohexanoic acid
CAS No:27456-63-9
MF:C14H30N4O8
MW:382.410004138947
CID:273143
PubChem ID:168699
Update Time:2025-04-19
(2S)-2-aminopentanedioic acid; (2S)-2-aminopropanoic acid; (2S)-2,6-diaminohexanoic acid Chemical and Physical Properties
Names and Identifiers
-
- (2S)-2-aminopentanedioic acid
- (2S)-2-aminopropanoic acid
- (2S)-2,6-diaminohexanoic acid
- (2S)-2-aminopentanedioic acid,(2S)-2-aminopropanoic acid,(2S)-2,6-diaminohexanoic acid
- DTXSID30181876
- SCHEMBL1371704
- 27456-63-9
- (2S)-2-aminopentanedioic acid; (2S)-2-aminopropanoic acid; (2S)-2,6-diaminohexanoic acid
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- Inchi： 1S/C6H14N2O2.C5H9NO4.C3H7NO2/c7-4-2-1-3-5(8)6(9)10;6-3(5(9)10)1-2-4(7)8;1-2(4)3(5)6/h5H,1-4,7-8H2,(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10);2H,4H2,1H3,(H,5,6)/t5-;3-;2-/m000/s1
- InChI Key： ISZZYKQBICINML-PSHWWVSLSA-N
- SMILES： OC([C@H](CCCCN)N)=O.OC([C@H](CCC(=O)O)N)=O.OC([C@H](C)N)=O
Computed Properties
- Exact Mass: 382.2065
- Monoisotopic Mass: 382.20636393g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 26
- Rotatable Bond Count: 10
- Complexity: 312
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 253?2
Experimental Properties
- PSA: 253.28
(2S)-2-aminopentanedioic acid; (2S)-2-aminopropanoic acid; (2S)-2,6-diaminohexanoic acid Related Literature
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Keyhan Esfandiarfard,Anna I. Arkhypchuk,Andreas Orthaber,Sascha Ott Dalton Trans. 2016 45 2201
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Jamie S. Ritch,Delphine Julienne,Shayne R. Rybchinski,Kathryne S. Brockman,Kevin R. D. Johnson,Paul G. Hayes Dalton Trans. 2014 43 267
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Jamie S. Ritch,Delphine Julienne,Shayne R. Rybchinski,Kathryne S. Brockman,Kevin R. D. Johnson,Paul G. Hayes Dalton Trans. 2014 43 267
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Keika Hattori,Asraa Ziadi,Kenichiro Itami,Junichiro Yamaguchi Chem. Commun. 2014 50 4105
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Paola Bergamini,Lorenza Marvelli,Valeria Ferretti,Chiara Gemmo,Roberto Gambari,Yekatsiaryna Hushcha,Ilaria Lampronti Dalton Trans. 2016 45 10752
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