Basic information
- CAS
177408-65-0- Standard SMILES
C[C@H](N)C(=O)CCCCCC(=O)O- InChIKey
GUAHPAJOXVYFON-ZETCQYMHSA-N- Molecular formula
- C9H17NO3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.1208434
Names & identifiers
- Preferred name
- (8S)-8-amino-7-oxononanoic acid
- IUPAC
- (8S)-8-amino-7-oxononanoic acid
- English name
- 8-Amino-7-oxo-nonanoic acid HCl
- Molecular formula
- C9H17NO3.ClH
- Molecular weight
- 223.7
Names & synonyms
(8S)-8-amino-7-oxononanoic acid(S)-8-Amino-7-oxo-nonanoic acid682799-71-9KAPKAPA(8S)-8-amino-7-oxononanoate8S-amino-7-oxo-nonanoic acidSCHEMBL31202391DTXSID60332273GUAHPAJOXVYFON-ZETCQYMHSA-NLMFA01100065DB02274
Show more names
8-Amino-7-oxo-nonanoic acid HClKAPA (hydrochloride) Exclusive8-Amino-7-oxononanoic acid hydrochloride8-AMINO-7-OXOPELARGONIC ACID, HYDROCHLORIDE(±)8-Amino-7-Oxononanoic Acid (hydrochloride)(8S)-8-AMino-7-oxo-nonanoic Acid Hydrochloride(7-Azabenzotriazol-1-yl)-N-oxy-tris(dimethyamino)phosphonium hexafluorosphate
PD060182NS00068586C22463EN300-25396420
Database identifiers
- CAS
177408-65-0、4707-58-8、682799-71-9- PubChem CID
- 448124
- DTXSID
DTXSID60332273- Nikkaji
- J726.108J
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]
Physicochemical properties
- Melting point
- 134 · 134-136
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- White to Beige
- Hazard Codes
- Xi
- HS Code
- 2922500090 · 2922500090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2922500090
- hazard_code
- Xi
Chemistry & industry
Applications
UsesAn intermediate in the synthesis of biotin. Pimeloyl-CoA is transformed into AOP in the presence of L-alanine by the enzyme AOP synthase. The catalytic mechanism of AOP synthase has been studied for the elucidation of inhibitors as potential antimicrobial agents.
Suppliers20 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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