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1-[3-(2,3-dihydroxypropyl)-2,6-dimethoxy-5-nitro-4H-pyrimidin-4-yl]propan-2-one

1-[3-(2,3-dihydroxypropyl)-2,6-dimethoxy-5-nitro-4H-pyrimidin-4-yl]propan-2-one structure

CAS No:
156360-67-7
Formula:
C12H19N3O7
Chemical Name:
1-[3-(2,3-dihydroxypropyl)-2,6-dimethoxy-5-nitro-4H-pyrimidin-4-yl]propan-2-one
Synonyms:
1-(3-(2,3-Dihydroxypropyl)-3,4-dihydro-2,6-dimethoxy-5-nitro-4-pyrimidinyl)-2-propanone; 4-Acetylmethyl-3,4-dihydro-3-(2,3-dihydroxypropyl)-2,6-dimethoxy-5-nitropyrimidine; 2-Propanone,1-[3-(2,3-dihydroxypropyl)-3,4-dihydro-2,6-dimethoxy-5-nitro-4-pyrimidinyl]; ADDDP;

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1-[3-(2,3-dihydroxypropyl)-2,6-dimethoxy-5-nitro-4H-pyrimidin-4-yl]propan-2-one Basic Attributes

Molecular Weight：

317.29500

Exact Mass：

317.12229995

Characteristics

PSA：

137.41000

XLogP3：

-1.00580

Density：

1.43g/cm3

Boiling Point：

514.3ºC

Flash Point：

264.8ºC

Refractive Index：

1.574

Vapor Pressure：

9.95E-13mmHg at 25°C

Drug Information

MeSH Entry Terms：

4-acetylmethyl-3,4-dihydro-3-(2,3-dihydroxypropyl)-2,6-dimethoxy-5-nitropyrimidine

Computed Properties

Molecular Weight:317.30
XLogP3:-1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:317.12229995
Monoisotopic Mass:317.12229995
Topological Polar Surface Area:137
Heavy Atom Count:22
Complexity:497
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[3-(2,3-dihydroxypropyl)-2,6-dimethoxy-5-nitro-4H-pyrimidin-4-yl]propan-2-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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