Basic information
- CAS
542-47-2- Standard SMILES
CCCCCCCCC(C)CCCCCCCCC(=O)O- InChIKey
BEOUGZFCUMNGOU-UHFFFAOYSA-N- Molecular formula
- C19H38O2
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.28718045
Overview
Tuberculostearic acid is a methyl-branched fatty acid, the structure of which is that of stearic acid carrying a methyl group at C-10. It is a long-chain fatty acid and a methyl-branched fatty acid. It is functionally related to an octadecanoic acid.
Names & identifiers
- Preferred name
- Tuberculostearic acid
- IUPAC
- 10-methyloctadecanoic acid
- English name
- 10-methyloctadecanoic acid
- Molecular formula
- C19H38O2
- Molecular weight
- 298.5
Names & synonyms
Tuberculostearic acid10-Methyloctadecanoic acid10-Methylstearic acid542-47-2Octadecanoic acid, 10-methyl-C2LR962W58NSC-625426CHEBI:68565DTXSID50862155RefChem:933622DTXCID5081095910-methyl-octadecanoic acid
Show more names
BEOUGZFCUMNGOU-UHFFFAOYSA-N
10-methyl-stearic acidNSC625426L-(+)-Tuberculostearic acid10-methyl-octadecanoateSCHEMBL456683UNII-C2LR962W58LMFA01020396HY-W708177
Database identifiers
- CAS
542-47-2- PubChem CID
- 65037
- DTXSID
DTXSID50862155- ChEBI
CHEBI:68565- UNII
- C2LR962W58
- Nikkaji
- J108.049K
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 226
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 20 · 20-21 °C
- Boiling point
- 380.63 °C · 380.63°C (estimate)
- Density
- 0.8865 · 0.8865 (rough estimate)
- refractive index
- 1.4466 · 1.4466 (estimate)
- pka
- 4.78 · 4.78±0.10(Predicted)
- LogP
- 8.184 · 8.184 (est)
- FDA UNII
- 2 LR962W58 · C2LR962W58
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
UsesTuberculostearic Acid is a saturated fatty acid produced by Actinomycetales bacteria.
Suppliers9 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
BOC Sciences[email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Additional notes
ChEBI: A methyl-branched fatty acid, the structure of which is that of stearic acid carrying a methyl group at C-10.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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