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1-[(2R,4S,5S)-5-(hydroxymethyl)-4-isocyanooxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,4S,5S)-5-(hydroxymethyl)-4-isocyanooxolan-2-yl]-5-methylpyrimidine-2,4-dione structure

CAS No:
123533-12-0
Formula:
C11H13N3O4
Chemical Name:
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-isocyanooxolan-2-yl]-5-methylpyrimidine-2,4-dione
Synonyms:
3'-isocyano-3'-deoxythymidine;3'-Isocyano-3'-deoxythymidine;123533-12-0;3'-Isocyano-ddThd;3'-Isocyano-dT;Thymidine, 3'-isocyano-;DTXSID40154036;1-[(2R,4S,5S)-5-(hydroxymethyl)-4-isocyanooxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,4S,5S)-5-(hydroxymethyl)-4-isocyano-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

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1-[(2R,4S,5S)-5-(hydroxymethyl)-4-isocyanooxolan-2-yl]-5-methylpyrimidine-2,4-dione Basic Attributes

Molecular Weight：

251.24 g/mol

Exact Mass：

251.09060590 g/mol

DSSTox ID：

DTXSID40154036

Characteristics

PSA：

83.2 Å²

Drug Information

MeSH Entry Terms：

3'-isocyano-3'-deoxythymidine

Computed Properties

Molecular Weight:251.24
XLogP3:-1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:251.09060590
Monoisotopic Mass:251.09060590
Topological Polar Surface Area:83.2
Heavy Atom Count:18
Complexity:464
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: fluorene; potassium carbonate formula; ethyl propionate; phosphorus pentachloride formula; combi blocks; hydroxyacetophenone

Guide of 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-isocyanooxolan-2-yl]-5-methylpyrimidine-2,4-dione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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