 Home > Encyclopedia > Cholesteryl palmitate

Cholesteryl palmitate

Cholesteryl palmitate structure

CAS No:
601-34-3
Formula:
C43H76O2
Chemical Name:
Cholesteryl palmitate
Synonyms:
Cholest-5-en-3-ol (3β)-,3-hexadecanoate;Cholesterol,palmitate;Cholest-5-en-3-ol (3β)-,hexadecanoate;Palmitic acid,cholesteryl ester;Cholesteryl palmitate;Cholesteryl hexadecanoate;Hexadecanoic acid cholesteryl ester;NSC 59692;Cholest-5-en-3β-ol stearate;5-Cholesten-3β-ol stearate;Cholesterol hexadecanoate;CE(16:0);137036-84-1;870637-59-5
Categories:
Chemical Reagents > Organic Reagents

Description

Cholesteryl palmitate is a useful prognostic biomarker for chronic interstitial pneumonia (CIP).

Solid

Cholesteryl palmitate is a cholesterol ester obtained by the formal condensation of cholesterol with palmitic acid. It has a role as a human metabolite and a mouse metabolite. It derives from a hexadecanoic acid.

Cholesteryl palmitate Basic Attributes

Molecular Weight：

625.062

Exact Mass：

625.06

EC Number：

210-002-5

UNII：

ZR4D53AD57

NSC Number：

59692

Characteristics

PSA：

26.30000

XLogP3：

18.14

Appearance：

Solid

Density：

1.0±0.1 g/cm3

Melting Point：

79 °C

Boiling Point：

651.5±34.0 °C at 760 mmHg

Flash Point：

347.8±13.2 °C

Refractive Index：

1.506

Water Solubility：

7.053e-013 mg/L @ 25 °C (est)

Collision Cross Section：

286.3 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|286.7 Å² [M+NH4]+ [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]|286.3 Å² [M+NH4]+ [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]|287 Å² [M+NH4]+ [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]|286.5 Å² [M+Na]+

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S24/25

Marks：

Drug Information

MeSH Entry Terms：

cholesteryl palmitate

Cholesteryl palmitate Use and Manufacturing

Manufacturing Info：

Cholest-5-en-3-ol (3.beta.)-, 3-hexadecanoate: ACTIVE

Use Classification：

Lipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Steryl esters [ST0102]

Computed Properties

Molecular Weight:625.1
XLogP3:16.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:21
Exact Mass:624.58453166
Monoisotopic Mass:624.58453166
Topological Polar Surface Area:26.3
Heavy Atom Count:45
Complexity:904
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes