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Bilirubin diglucuronide

Bilirubin diglucuronide structure

CAS No:
17459-92-6
Formula:
C45H52N4O18
Chemical Name:
Bilirubin diglucuronide
Synonyms:
21H-Biline-8,12-dipropanoic acid,2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-,8,12-di-β-D-glucopyranuronosyl ester;Biline-8,12-dipropionic acid,1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-,di-β-D-glucopyranuronosyl ester;21H-Biline-8,12-dipropanoic acid,2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-,di-β-D-glucopyranuronosyl ester;Bilirubin,di-β-D-glucuronopyranosyl ester;Bilirubin diglucuronide;Bilirubin glucuronide;Bilirubin IXα diglucuronide;14209-46-2;21462-38-4;25360-08-1;26014-21-1;26365-26-4;28061-50-9;30142-41-7;30677-06-6;30796-63-5;69401-12-3;77519-31-4;78248-78-9
Categories:
Dyes and Pigments > Pigment

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Description

Solid

Bilirubin diglucuronide Basic Attributes

Molecular Weight：

936.916

Exact Mass：

936.91

UNII：

9L71584RCM

Characteristics

PSA：

357

XLogP3：

-0.21540

Appearance：

Solid

Density：

1.57±0.1 g/cm3(Predicted)

Boiling Point：

1212.5±65.0 °C(Predicted)

Flash Point：

687.1ºC

Refractive Index：

1.69

Vapor Pressure：

0mmHg at 25°C

Drug Information

MeSH Entry Terms：

bilirubin diglucuronide

Bilirubin diglucuronide Use and Manufacturing

A metabolite of Bilirubin

Computed Properties

Molecular Weight:936.9
XLogP3:-0.2
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:18
Exact Mass:936.32766082
Monoisotopic Mass:936.32766082
Topological Polar Surface Area:357
Heavy Atom Count:67
Complexity:2140
Defined Atom Stereocenter Count:10
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes