n-MCT
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n-MCT
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CAS No:
156126-12-4
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Formula:
C12H16N2O4
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Chemical Name:
n-MCT
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Synonyms:
2,4(1H,3H)-Pyrimidinedione,1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hex-2-yl]-5-methyl-;2,4(1H,3H)-Pyrimidinedione,1-[4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hex-2-yl]-5-methyl-,[1S-(1α,2α,4β,5α)]-;1-[(1S,2S,4S,5R)-4-Hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hex-2-yl]-5-methyl-2,4(1H,3H)-pyrimidinedione;(North)-methanocarbathymidine;n-MCT
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CAS No:
Description
1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hexan-2-yl]thymine is a carbobicyclic compound that is bicyclo[3.1.0]hexane which is substituted at the 2-pro-S, 4-pro-S and 5-pro-R positions by thymin-1-yl, hydroxy, and hydroxymethyl groups, respectively. It is a carbobicyclic compound, a primary alcohol, a secondary alcohol, a C-glycosyl pyrimidine and a pyrimidone. It derives from a thymine.
Computed Properties
Molecular Weight:252.27
XLogP3:-0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:252.11100700
Monoisotopic Mass:252.11100700
Topological Polar Surface Area:89.9
Heavy Atom Count:18
Complexity:461
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes