 Home > Encyclopedia > (3-heptyl-5-hydroxyphenyl) 2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoate

(3-heptyl-5-hydroxyphenyl) 2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoate

(3-heptyl-5-hydroxyphenyl) 2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoate structure

CAS No:
120634-86-8
Formula:
C33H48O10
Chemical Name:
(3-heptyl-5-hydroxyphenyl) 2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoate
Synonyms:
KS 501;

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(3-heptyl-5-hydroxyphenyl) 2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoate Basic Attributes

Molecular Weight：

604.72800

Exact Mass：

604.32474772 g/mol

Characteristics

PSA：

166.14000

XLogP3：

4.52150

Density：

1.247g/cm3

Boiling Point：

821.7ºC

Flash Point：

257.4ºC

Refractive Index：

1.585

Vapor Pressure：

1.41E-28mmHg at 25°C

Drug Information

MeSH Entry Terms：

KS 501

Computed Properties

Molecular Weight:604.7
XLogP3:7.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:19
Exact Mass:604.32474772
Monoisotopic Mass:604.32474772
Topological Polar Surface Area:166
Heavy Atom Count:43
Complexity:783
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3-heptyl-5-hydroxyphenyl) 2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoate

Basic Attributes
Characteristics
Drug Information
Computed Properties

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