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(-)-Stercobilin

(-)-Stercobilin structure

CAS No:
34217-90-8
Formula:
C33H46N4O6
Chemical Name:
(-)-Stercobilin
Synonyms:
21H-Biline-8,12-dipropanoic acid,3,18-diethyl-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-2,7,13,17-tetramethyl-1,19-dioxo-,(2R,3R,4S,16S,17R,18R)-;Biline-8,12-dipropionic acid,3,18-diethyl-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-2,7,13,17-tetramethyl-1,19-dioxo-,(-)-;Stercobilin;Stercobilin IXα;(2R,3R,4S,16S,17R,18R)-3,18-Diethyl-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid;l-Stercobilin;(-)-Stercobilin;Stercobiline;531-13-5;11040-32-7;13671-96-0;13857-56-2;13857-57-3;20751-36-4;25021-22-1;30505-51-2;34786-57-7;47846-65-1
Categories:
Dyes and Pigments > Pigment

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(-)-Stercobilin Basic Attributes

Molecular Weight：

594.75

Exact Mass：

594.74

EC Number：

251-887-8

Characteristics

PSA：

161 Å²

Density：

1.33±0.1 g/cm3

Melting Point：

236 °C

Boiling Point：

862.5±65.0 °C(Predicted)

PKA：

4.52±0.10

Drug Information

MeSH Entry Terms：

stercobilin

(-)-Stercobilin Use and Manufacturing

Manufacturing Info：

21H-Biline-8,12-dipropanoic acid, 3,18-diethyl-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-2,7,13,17-tetramethyl-1,19-dioxo-, (2R,3R,4S,16S,17R,18R)-: INACTIVE

Computed Properties

Molecular Weight:594.7
XLogP3:2.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:13
Exact Mass:594.34173520
Monoisotopic Mass:594.34173520
Topological Polar Surface Area:161
Heavy Atom Count:43
Complexity:1210
Undefined Atom Stereocenter Count:6
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes