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4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methylpyrimidin-2-one

4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methylpyrimidin-2-one structure

CAS No:
137623-41-7
Formula:
C9H13N3O3S
Chemical Name:
4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methylpyrimidin-2-one
Synonyms:
Oxathiolan,5MeC-(+).b.; (+)-(2S,5R)-5-Methyl-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine; 2(1H)-Pyrimidinone,4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-5-methyl-,(2S-cis);

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4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methylpyrimidin-2-one Basic Attributes

Molecular Weight：

243.28300

Exact Mass：

243.06776246 g/mol

DSSTox ID：

DTXSID20160251

Characteristics

PSA：

116.66000

XLogP3：

0.05670

Density：

1.64g/cm3

Boiling Point：

472ºC

Flash Point：

239.2ºC

Refractive Index：

1.725

Vapor Pressure：

6.85E-11mmHg at 25°C

Computed Properties

Molecular Weight:243.29
XLogP3:-0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:243.06776246
Monoisotopic Mass:243.06776246
Topological Polar Surface Area:113
Heavy Atom Count:16
Complexity:369
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methylpyrimidin-2-one

Basic Attributes
Characteristics
Computed Properties

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