 Home > Encyclopedia > 1-[3-dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one

1-[3-dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one

1-[3-dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one structure

CAS No:
144337-18-8
Formula:
C45H62O8
Chemical Name:
1-[3-dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one

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1-[3-dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one Basic Attributes

Molecular Weight：

730.96900

Exact Mass：

730.44446893

UNII：

D27Z1V25BZ

Characteristics

PSA：

144.52000

XLogP3：

12.07750

Density：

1.14g/cm3

Boiling Point：

797.832ºC

Flash Point：

228.539ºC

Refractive Index：

1.572

Vapor Pressure：

0mmHg at 25°C

Drug Information

MeSH Entry Terms：

4-(3,5-didodecanoyl-2,4,6-trihydroxyphenyl)-7-hydroxy-2-(4-hydroxyphenyl)chroman

Computed Properties

Molecular Weight:731.0
XLogP3:14.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:24
Exact Mass:730.44446893
Monoisotopic Mass:730.44446893
Topological Polar Surface Area:145
Heavy Atom Count:53
Complexity:980
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[3-dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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