 Home > Encyclopedia > 1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxyoxolan-2-yl]-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-one

1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxyoxolan-2-yl]-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-one

1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxyoxolan-2-yl]-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-one structure

CAS No:
111160-28-2
Formula:
C12H14ClN5O3
Chemical Name:
1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxyoxolan-2-yl]-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-one

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1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxyoxolan-2-yl]-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-one Basic Attributes

Molecular Weight：

311.72400

Exact Mass：

311.0785170 g/mol

DSSTox ID：

DTXSID10149515

Characteristics

PSA：

95.06000

XLogP3：

0.01960

Density：

1.68g/cm3

Boiling Point：

603.2ºC

Flash Point：

318.6ºC

Refractive Index：

1.739

Vapor Pressure：

2.12E-15mmHg at 25°C

Computed Properties

Molecular Weight:311.72
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:311.0785170
Monoisotopic Mass:311.0785170
Topological Polar Surface Area:92.8
Heavy Atom Count:21
Complexity:497
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxyoxolan-2-yl]-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-one

Basic Attributes
Characteristics
Computed Properties

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