Fenprostalene

CAT: 0926-FF23266-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-FF23266-02Size:50 mg

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CAS Number

69381-94-8

Synonyms

(4S) -rel-7- (1R,2R,3R,5S) -3,5-dihydroxy-2- (1E,3R) -3-hydroxy-4-phenoxy-1-buten-1-ylcyclopentyl-4,5-heptadienoic acid methyl ester; 1a (S*),2b (1E,3R*),3a,5a-7-3,5-Dihydroxy-2- (3-hydroxy-4-phenoxy-1-butenyl) cyclopentyl-4,5-heptadienoic acid methyl

Smiles

COC (=O) CCC=C=CC[C@@H]1[C@@H] (C[C@@H] ([C@H]1/C=C/[C@@H] (COC2=CC=CC=C2) O) O) O

Controlled

Chemical Information

Fenprostalene

RN given refers to (1R*,2R*,3R*,5S*)-(E)-(3R*)-isomer; structure given in first source

CAS Number	69381-94-8
PubChem CID	72734332
IUPAC Name	methyl 7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-4-phenoxybut-1-enyl]cyclopentyl]hepta-4,5-dienoate
Molecular Formula	C23H30O6
Molecular Weight	402.5
XLogP	1.6
Topological Polar Surface Area	96.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Heavy Atom Count	29
Formal Charge	0
Complexity	574

SMILES

COC(=O)CCC=C=CC[C@@H]1[C@@H](C[C@@H]([C@H]1/C=C/[C@@H](COC2=CC=CC=C2)O)O)O

InChI

InChI=1S/C23H30O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h3-7,9-10,13-14,17,19-22,24-26H,8,11-12,15-16H2,1H3/b14-13+/t2?,17-,19-,20-,21+,22-/m0/s1

InChIKey

BYNHBQROLKAEDQ-CNDPCGPLSA-N

Chemical Structure

2D Structure

CAS: 69381-94-8

CID: 72734332

Formula: C23H30O6

MW: 402.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	402.5
XLogP3	1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Exact Mass	402.20423867
Monoisotopic Mass	402.20423867
Topological Polar Surface Area	96.2 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	574
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-126762	Fenprostalene

Fenprostalene

Chemical Information

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