Cas no 71776-74-4 (L-Alloisoleucine methyl ester hydrochloride)
71776-74-4 structure
Product Name:L-Alloisoleucine methyl ester hydrochloride
CAS No:71776-74-4
MF:C7H16ClNO2
MW:181.660441398621
CID:1082392
PubChem ID:12890352
Update Time:2025-04-20
L-Alloisoleucine methyl ester hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- L-Alloisoleucine methyl ester hydrochloride
- methyl (2S,3R)-2-amino-3-methylpentanoate,hydrochloride
- L-Alloisoleucine, methyl ester, hydrochloride (1:1)
- LogP
- Methyl L-alloisoleucinate hydrochloride (1:1)
- methyl (2S,3R)-2-amino-3-methylpentanoate;hydrochloride
- SCHEMBL5420866
- GGTBEWGOPAFTTH-IBTYICNHSA-N
- (2S,3R)-methyl 2-amino-3-methylpentanoate hydrochloride
- 71776-74-4
- METHYL (2S,3R)-2-AMINO-3-METHYLPENTANOATE HYDROCHLORIDE
- methyl L-alloisoleucinate hydrochloride
-
- MDL： MFCD16660994
- Inchi： 1S/C7H15NO2.ClH/c1-4-5(2)6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t5-,6+;/m1./s1
- InChI Key： GGTBEWGOPAFTTH-IBTYICNHSA-N
- SMILES： Cl.O(C)C([C@H]([C@H](C)CC)N)=O
Computed Properties
- Exact Mass: 181.08708
- Monoisotopic Mass: 181.0869564g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 114
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 52.32
L-Alloisoleucine methyl ester hydrochloride Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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