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Histidinol

Histidinol structure

CAS No:
501-28-0
Formula:
C6H11N3O
Chemical Name:
Histidinol
Synonyms:
1H-Imidazole-5-propanol,β-amino-;Imidazole-4-propanol,β-amino-;1H-Imidazole-4-propanol,β-amino-;Imidazole-4(or 5)-propanol,β-amino-;Imidazole-4(or 5)-propanol,β-amino-;β-Amino-1H-imidazole-5-propanol;Histidol;Histidinol;2-Amino-3-(1H-imidazol-4-yl)propan-1-ol;2-Amino-3-(1H-imidazol-5-yl)propan-1-ol
Categories:
Organic Chemistry > Amides

Description

The penultimate step in the pathway of histidine biosynthesis. Oxidation of the alcohol group on the side chain gives the acid group forming histidine. Histidinol has also been used as an inhibitor of protein synthesis.

Histidinol Basic Attributes

Molecular Weight：

141.174

Exact Mass：

141.17

HScode：

2933290090

Characteristics

PSA：

74.9

XLogP3：

-1.2

Density：

1.261g/cm3

Melting Point：

192.5-195.5 °C

Boiling Point：

455.5ºC at 760mmHg

Flash Point：

229.3ºC

Refractive Index：

1.594

Collision Cross Section：

128.7 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|131.9 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|127.5 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Drug Information

MeSH Entry Terms：

Histidinol

Computed Properties

Molecular Weight:141.17
XLogP3:-1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:141.090211983
Monoisotopic Mass:141.090211983
Topological Polar Surface Area:74.9
Heavy Atom Count:10
Complexity:99
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes