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5-Pentacosylresorcinol

5-Pentacosylresorcinol structure

CAS No:
70110-61-1
Formula:
C31H56O2
Chemical Name:
5-Pentacosylresorcinol
Synonyms:
1,3-Benzenediol,5-pentacosyl-;5-Pentacosyl-1,3-benzenediol;5-Pentacosylresorcinol;1,3-Dihydroxy-5-pentacosylbenzene
Categories:
Natural Products > Phenols

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5-Pentacosylresorcinol Basic Attributes

Molecular Weight：

460.787

Exact Mass：

460.78

DSSTox ID：

DTXSID70220399

HScode：

2907299090

Characteristics

PSA：

40.46000

XLogP3：

13.97

Density：

0.9±0.1 g/cm3

Boiling Point：

572.6±20.0 °C at 760 mmHg

Flash Point：

225.1±16.4 °C

Refractive Index：

1.498

5-Pentacosylresorcinol Use and Manufacturing

Use Classification：

Lipids -> Polyketides [PK] -> Phenolic lipids [PK15] -> Alkyl resorcinols and derivatives [PK1503]

Computed Properties

Molecular Weight:460.8
XLogP3:14.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:24
Exact Mass:460.42803102
Monoisotopic Mass:460.42803102
Topological Polar Surface Area:40.5
Heavy Atom Count:33
Complexity:373
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes