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991-01-5

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Basic Information
CAS No.: 991-01-5
Name: Isodesmosine
Article Data: 5
Molecular Structure:
Molecular Structure of 991-01-5 (Isodesmosine)
Formula: C24H40N5O8
Molecular Weight: 526.61
Synonyms: Pyridinium,2-(4-amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)-(8CI);6-[2-(4-Amino-4-carboxybutyl)-3,5-bis(3-amino-3-carboxypropyl)pyridinium-1-yl]norleucine;
Safety: 22-24/25
PSA: 257.16000
LogP: 1.78110
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    Isodesmosine

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    High quality,stable supply chain.Appearance:white/off-white or light yellow Storage:Store in cool and dry place, keep away from strong light and heat. Package:aluminum bottle,glass bottle,PTFE bottle,cardboard drum Application:This product can be use

    Suzhou Health Chemicals Co., Ltd. is A Fine Chemicals Company, specializing in research, development, manufacture and distribute raw materials for pharmaceutical, healthcare, bioch

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    Isodesmosine

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

    Zhejiang Jiuzhou Chemical Co.,Ltd is a market-oriented and innovation-driven biopharmaceutical company. The company is focusing on the R&D, manufacturing and sales of pharmaceutica

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    Isodesmosine [991-01-5 ]

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    Shaanxi Cuicheng Biomedical Technology Co., Ltd. is located in Chuangzhi Industrial Park, Economic and Technological Development Zone, Hanzhong City, Shaanxi Province, China. It is a company specializing in natural medicines and high-throughput scree

    Shaanxi Cuicheng Biomedical Technology Co., Ltd. was established in April 2019 with a registered capital of 8 million RMB and is located in Chuangzhi Industrial Park, Economic and

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Specification

The Isodesmosine, with the CAS registry number 991-01-5, is also known as Pyridinium,2-(4-amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)-. This chemical's molecular formula is C24H40N5O8 and molecular weight is 526.60. What's more, its systematic name is 6-[2-(4-amino-4-carboxybutyl)-3,5-bis(3-amino-3-carboxypropyl)pyridinium-1-yl]norleucine. It is a lysine derivative found in elastin, formed by condensation of four molecules of lysine into a pyridinium ring. It should be sealed and stored at the temperature of 2 - 8 °C.

Physical properties of Isodesmosine are: (1)ACD/LogP: -7.26; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -9.09; (4)ACD/LogD (pH 7.4): -8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 13; (10)#H bond donors: 12; (11)#Freely Rotating Bonds: 23; (12)Polar Surface Area: 122.04 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)CCCC[n+]1cc(cc(c1CCCC(C(=O)O)N)CCC(C(=O)O)N)CCC(C(=O)O)N
(2)Std. InChI: InChI=1S/C24H39N5O8/c25-16(21(30)31)4-1-2-11-29-13-14(7-9-18(27)23(34)35)12-15(8-10-19(28)24(36)37)20(29)6-3-5-17(26)22(32)33/h12-13,16-19H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1
(3)Std. InChIKey: RGXCTRIQQODGIZ-UHFFFAOYSA-O