 Home > Encyclopedia > [(1S,4R,5R)-2-penta-1,3-diynoxyspiro[6-oxabicyclo[3.1.0]hex-2-ene-4,6'-oxane]-3'-yl] 3-methylbutanoate

[(1S,4R,5R)-2-penta-1,3-diynoxyspiro[6-oxabicyclo[3.1.0]hex-2-ene-4,6'-oxane]-3'-yl] 3-methylbutanoate

[(1S,4R,5R)-2-penta-1,3-diynoxyspiro[6-oxabicyclo[3.1.0]hex-2-ene-4,6'-oxane]-3'-yl] 3-methylbutanoate structure

CAS No:
107259-45-0
Formula:
C19H22O5
Chemical Name:
[(1S,4R,5R)-2-penta-1,3-diynoxyspiro[6-oxabicyclo[3.1.0]hex-2-ene-4,6'-oxane]-3'-yl] 3-methylbutanoate
Synonyms:
lactiflorasyne;Lactiflorasyne;107259-45-0;(1R,2R,5S)-4-(penta-1,3-diyn-1-yloxy)-3',4',5',6'-tetrahydro-6-oxaspiro[bicyclo[3.1.0]hexane-2,2'-pyran]-3-en-5'-yl 3-methylbutanoate;DTXSID40910275;[(1R,2R,5S)-4-penta-1,3-diynoxyspiro[6-oxabicyclo[3.1.0]hex-3-ene-2,6'-oxane]-3'-yl] 3-methylbutanoate;4-[(Penta-1,3-diyn-1-yl)oxy]spiro[6-oxabicyclo[3.1.0]hex-3-ene-2,2'-oxan]-5'-yl 3-methylbutanoate;Butanoic acid, 3-methyl-, 3',4',5',6'-tetrahydro-4-(1,3-pentadiynyloxy)spiro(6-oxabicyclo(3.1.0)hex-3-ene-2,2'-(2H)pyran)-5'-yl ester, (1R-(1alpha,2beta(R*),5alpha))-

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[(1S,4R,5R)-2-penta-1,3-diynoxyspiro[6-oxabicyclo[3.1.0]hex-2-ene-4,6'-oxane]-3'-yl] 3-methylbutanoate Basic Attributes

Molecular Weight：

330.4 g/mol

Exact Mass：

330.14672380 g/mol

Characteristics

PSA：

57.3 Å²

Drug Information

MeSH Entry Terms：

lactiflorasyne

Computed Properties

Molecular Weight:330.4
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:330.14672380
Monoisotopic Mass:330.14672380
Topological Polar Surface Area:57.3
Heavy Atom Count:24
Complexity:680
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(1S,4R,5R)-2-penta-1,3-diynoxyspiro[6-oxabicyclo[3.1.0]hex-2-ene-4,6'-oxane]-3'-yl] 3-methylbutanoate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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