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13,14-DEHYDRO-15-CYCLOHEXYL CARBAPROSTACYCLIN

13,14-DEHYDRO-15-CYCLOHEXYL CARBAPROSTACYCLIN structure

CAS No:
145375-81-1
Formula:
C21H30O4
Chemical Name:
13,14-DEHYDRO-15-CYCLOHEXYL CARBAPROSTACYCLIN
Synonyms:
13,14-dehydro-15-cyclohexyl Carbaprostacyclin;1185AH;ZINC34189869;(+)-MM-706;SR-01000946872;SR-01000946872-1;(E)-5-((3aS,4S,5R,6aS)-5-hydroxy-4-((1-hydroxycyclohexyl)ethynyl)hexahydropentalen-2(1H)-ylidene)pentanoic acid;5-[(1S,3E,5S)-6beta-[(1-Hydroxycyclohexyl)ethynyl]-7alpha-hydroxybicyclo[3.3.0]octan-3-ylidene]pentanoic acid;5-[(1S,3Z,5S)-6beta-[(1-Hydroxycyclohexyl)ethynyl]-7alpha-hydroxybicyclo[3.3.0]octan-3-ylidene]pentanoic acid;6,9alpha-Methylene-11alpha-hydroxy-15,16,17,18,19,20-hexanor-14-(1-hydroxycyclohexyl)-prost-5E-en-13-yn-1-oic acid

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13,14-DEHYDRO-15-CYCLOHEXYL CARBAPROSTACYCLIN Basic Attributes

Molecular Weight：

346.46

Exact Mass：

346.214409

DSSTox ID：

DTXSID20849594

Characteristics

PSA：

77.8

Density：

1.21±0.1 g/cm3(Predicted)

Boiling Point：

559.9±50.0 °C(Predicted)

Computed Properties

Molecular Weight:346.5
XLogP3:2.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:346.21440943
Monoisotopic Mass:346.21440943
Topological Polar Surface Area:77.8
Heavy Atom Count:25
Complexity:588
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 13,14-DEHYDRO-15-CYCLOHEXYL CARBAPROSTACYCLIN

Basic Attributes
Characteristics
Computed Properties

13,14-DEHYDRO-15-CYCLOHEXYL CARBAPROSTACYCLIN

SDS

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