Basic information
- CAS
506-38-7- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O- InChIKey
MWMPEAHGUXCSMY-UHFFFAOYSA-N- Molecular formula
- C25H50O2
- Average molar mass
- 382.7 g/mol
- Monoisotopic mass
- 382.38108083
Overview
Pentacosanoic acid is a very long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a pentacosanoate.
Names & identifiers
- Preferred name
- Pentacosanoic acid
- IUPAC
- pentacosanoic acid
- English name
- Pentacosanoic acid
- Molecular formula
- C25H50O2
- Molecular weight
- 382.66
Names & synonyms
PENTACOSANOIC ACID506-38-7Hyenic acid4S768OX95GNSC-89289CHEBI:39420DTXSID8075049RefChem:1094456DTXCID7040861208-036-0n-Pentacosanoic acidMFCD00020551
Show more names
Pentacosylic acidNSC 89289PentacosanoicPentacosanoic aciPentacosanoicAcid>N-PENTACOSANOIC ACIDPENTACOSANOIC ACID(SG)N-PENTACOSANOIC ACID 95+%Caprylic Acid Impurity 59
Hyenaten-PentacosanoateFA 25:0EINECS 208-036-0SCHEMBL2054087NSC89289AS-35339C25:0
Database identifiers
- CAS
506-38-7- PubChem CID
- 10468
- DTXSID
DTXSID8075049- ChEMBL
CHEMBL4303190- ChEBI
CHEBI:39420- UNII
- 4S768OX95G
- EC Number
- 208-036-0
- Nikkaji
Properties
Computed structural properties
- XLogP
- 11.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 23
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 288
Experimental & physicochemical properties
Lipids
Lipids -> Unambiguous Lipids
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101]
Physical DescriptionSolid
Collision Cross Section202.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids]
Physicochemical properties
- Melting point
- 83 °C · 83 °C
- Boiling point
- 440.48 °C · 440.48°C (rough estimate)
- Density
- 0.8913 · 0.8913 (rough estimate)
- refractive index
- 1.4675 · 1.4675 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly, Heated), Methanol (Slightly)
- form
- Solid
- pka
- 4.78 · 4.78±0.10(Predicted)
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
- 2915.90.1800
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Metabolite PathwaysAcylcarnitine Pentacosanoylcarnitine
Applications
UsesPentacosanoic Acid is a saturated fatty acid.
Upstream & downstream products
Downstream products
Suppliers84 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
2 records
Compound notes
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