 Home > Encyclopedia > (7R,8R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one

(7R,8R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one

(7R,8R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one structure

CAS No:
167355-56-8
Formula:
C19H23ClO4
Chemical Name:
(7R,8R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one
Synonyms:
6H-2-Benzopyran-6-one,5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-7,8-dihydro-7,8-dihydroxy-7-methyl; Isochromophilone V;

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(7R,8R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one Basic Attributes

Molecular Weight：

350.83700

Exact Mass：

350.1284869

Characteristics

PSA：

66.76000

XLogP3：

3.52050

Density：

1.25g/cm3

Boiling Point：

492.4ºC at 760 mmHg

Flash Point：

251.6ºC

Refractive Index：

1.585

Vapor Pressure：

9.25E-12mmHg at 25°C

Drug Information

MeSH Entry Terms：

isochromophilone V

Computed Properties

Molecular Weight:350.8
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:350.1284869
Monoisotopic Mass:350.1284869
Topological Polar Surface Area:66.8
Heavy Atom Count:24
Complexity:696
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (7R,8R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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