 Home > Encyclopedia > methyl (5E)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate

methyl (5E)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate

methyl (5E)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate structure

CAS No:
61799-74-4
Formula:
C21H34O5
Chemical Name:
methyl (5E)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate
Synonyms:
Prosta-5,13-dien-1-oic acid,6,9-epoxy-11,15-dihydroxy-,methyl ester,(5Z,9alpha,11alpha,13E,15S); Prostaglandin I2 methyl ester; Pgi2 methyl ester;
Categories:
Biochemical Engineering > Inflammation Mediators

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methyl (5E)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate Basic Attributes

Molecular Weight：

366.49200

Exact Mass：

366.24062418

Characteristics

PSA：

75.99000

XLogP3：

3.49690

Density：

1.167g/cm3

Boiling Point：

491.4ºC

Flash Point：

163ºC

Refractive Index：

1.584

Storage Conditions：

-20ºC

Safety Information

hazard class code：

R20/21/22

safety instructions：

S22; S36

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

PGI2 methyl ester

Computed Properties

Molecular Weight:366.5
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:366.24062418
Monoisotopic Mass:366.24062418
Topological Polar Surface Area:76
Heavy Atom Count:26
Complexity:499
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl (5E)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Learn More Other Chemicals

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