2-Naphthalenecarboxylic acid, 4-[1-(3-carboxy-4-hydroxy-1-naphthalenyl)-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1-hydroxy-6-(octadecyloxy)-
Basic information
- CAS
38122-81-5- Standard SMILES
CCCCCCCCCCCCCCCCCCOc1ccc2c(O)c(C(=O)O)cc(C3(c4cc(C(=O)O)c(O)c5ccccc45)OC(=O)c4cccc5cccc3c45)c2c1- InChIKey
AANWBJLLAXURNB-UHFFFAOYSA-N- Molecular formula
- C52H56O9
- Average molar mass
- 825 g/mol
- Monoisotopic mass
- 824.39243336
Names & identifiers
- Preferred name
- 2-Naphthalenecarboxylic acid, 4-[1-(3-carboxy-4-hydroxy-1-naphthalenyl)-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1-hydroxy-6-(octadecyloxy)-
- IUPAC
- 4-[2-(3-carboxy-4-hydroxynaphthalen-1-yl)-4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]-1-hydroxy-6-octadecoxynaphthalene-2-carboxylic acid
- English name
- 4-[1-(3-carboxy-4-hydroxy-1-naphthyl)-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1-hydroxy-6-(octadecyloxy)-2-naphthoic acid
- Molecular formula
- C52H56O9
- Molecular weight
- 825
Names & synonyms
EINECS 253-792-738122-81-52-Naphthalenecarboxylic acid, 4-[1-(3-carboxy-4-hydroxy-1-naphthalenyl)-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1-hydroxy-6-(octadecyloxy)-DTXSID108857044-(1-(3-Carboxy-4-hydroxy-1-naphthalenyl)-3-oxo-1H,3H-naphtho(1,8-cd)pyran-1-yl)-1-hydroxy-6-(octadecyloxy)-2-naphthalenecarboxylic acid2-Naphthalenecarboxylic acid, 4-(1-(3-carboxy-4-hydroxy-1-naphthalenyl)-3-oxo-1H,3H-naphtho(1,8-cd)pyran-1-yl)-1-hydroxy-6-(octadecyloxy)-3-(3'-Carboxy-4'-hydroxy-1'-naphthyl)-3-(3''-carboxy-4''-hydroxy-7''-n-octadecyloxy-1''-naphthyl)naphthalide4-[1-(3-Carboxy-4-hydroxy-1-naphthalenyl)-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1-hydroxy-6-(octadecyloxy)-2-naphthalenecarboxylic acidRefChem:476637DTXCID901025068AANWBJLLAXURNB-UHFFFAOYSA-NNS00055990
Show more names
4-[1-(3-carboxy-4-hydroxy-1-naphthyl)-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1-hydroxy-6-(octadecyloxy)-2-naphthoic acid
Properties
Computed structural properties
- XLogP
- 16.5
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 22
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,400
Physicochemical properties
- Boiling point
- 948 · 948.0±65.0 °C(Predicted)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- pka
- 2.81 · 2.81±0.30(Predicted)
- EPA Substance Registry System
- 2 · 2-Naphthalenecarboxylic acid, 4-[1-(3-carboxy-4-hydroxy-1-naphthalenyl)-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1-hydroxy-6-(octadecyloxy)- (38122-81-5)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenecarboxylic acid, 4-[1-(3-carboxy-4-hydroxy-1-naphthalenyl)-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1-hydroxy-6-(octadecyloxy)-: INACTIVE
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Compound notes
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