 Home > Encyclopedia > 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid

2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid

2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid structure

CAS No:
157117-38-9
Formula:
C18H21N4O7P
Chemical Name:
2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
Synonyms:
5'-Phosphopyridoxyl-7-azatryptophan; 5-Ppat;

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2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid Basic Attributes

Molecular Weight：

436.35600

Exact Mass：

436.11478602

Characteristics

PSA：

187.70000

XLogP3：

1.75760

Density：

1.585g/cm3

Boiling Point：

843.2ºC

Flash Point：

463.7ºC

Refractive Index：

1.7

Vapor Pressure：

3.36E-30mmHg at 25°C

Drug Information

MeSH Entry Terms：

5'-phosphopyridoxyl-7-azatryptophan

Computed Properties

Molecular Weight:436.4
XLogP3:-2.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:436.11478602
Monoisotopic Mass:436.11478602
Topological Polar Surface Area:178
Heavy Atom Count:30
Complexity:636
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid

Basic Attributes
Characteristics
Drug Information
Computed Properties
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