(2E,5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hepta-2,5-dienal
Basic information
- CAS
62410-84-8- Standard SMILES
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\C/C=C/C=O)[C@@H](O)C[C@H]1O- InChIKey
HXMNDTFWMWSWDQ-LUQDXZJJSA-N- Molecular formula
- C20H32O4
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.2300595
Names & identifiers
- Preferred name
- (2E,5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hepta-2,5-dienal
- IUPAC
- (2E,5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hepta-2,5-dienal
- English name
- 9alpha, 11alpha, 15S-trihydroxy-prosta-5z, 13e-dien-1-oic acid, 1,11-lactone
- Molecular formula
- C20H32O4
- Molecular weight
- 336.47
Names & synonyms
PGF2-alpha 1,11-lactoneBRN 5596377Prostaglandin F2-alpha 1,11-lactone(2E,5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hepta-2,5-dienalDTXSID801347865Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-, iota-lactone, (5Z,9-alpha,11-alpha,13E,15S)-pgf2-alpha1,11-lactoneProstaglandin F2α 1,11-lactonePROSTAGLANDIN F2ALPHA 1,11-LACTONE9,11,15-trihydroxy-,iota-lactone,(5z,9-alpha,11-prosta-13-dien-1-oicacid9alpha, 11alpha, 15S-trihydroxy-prosta-5z, 13e-dien-1-oic acid, 1,11-lactoneProsta-5,13-dien-1-oicacid,9,11,15-trihydroxy-,i-lactone,(5z,9a,11a,13e,15s)-(9ci)
Show more names
Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-, ι-lactone, (5Z,9α,11α,13E,15S)- (9CI)(1R,3Z,10R,12S,13R)-12-hydroxy-13-[(E,3S)-3-hydroxyoct-1-enyl]-9-oxabicyclo[8.2.1]tridec-3-en-8-one
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Boiling point
- 516.204 · 516.204±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.1 · 1.100±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 20 mg/ml; · DMF: >20 mg/ml; DMSO: >10 mg/ml; Ethanol: >100 mg/ml; Ethanol:PBS (30:70): 8 mg/ml; PBS pH 7.2: <50 μg/ml
- pka
- 14.274 · 14.274±0.40(predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H319-H360-H336
- Precautionary statements
- 201 · P201-P202-P210-P240-P241-P242-P243-P261-P264-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P308+P313-P312-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501
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
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- Hazard statements
- H225-H319-H360-H336
- Precautionary statements
- P201-P202-P210-P240-P241-P242-P243-P261-P264-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P308+P313-P312-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501
Chemistry & industry
Applications
UsesProstaglandin F2α 1,11-lactone is a prostaglandin. Prostaglandin F2α 1,11-lactone is absorbed by the eye. Prostaglandin F2α 1, 11-Lactone has metabolic stability on the corneal surface and conjunctiva. Prostaglandin F2α 1,11-lactone can be used in the treatment of glaucoma [1].
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