 Home > Encyclopedia > 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carbonitrile

7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carbonitrile

7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carbonitrile structure

CAS No:
51112-63-1
Formula:
C13H14N4O4S
Chemical Name:
7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
Synonyms:
51112-63-1;NSC116098;4-(methylsulfanyl)-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile;DTXSID30297466;NSC-116098;7H-Pyrrolo[2, 4-(methylthio)- 7-beta-D-ribofuranosyl-

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7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carbonitrile Basic Attributes

Molecular Weight：

322.34 g/mol

Exact Mass：

322.07357611 g/mol

NSC Number：

116098

DSSTox ID：

DTXSID30297466

Characteristics

PSA：

150 Å²

Computed Properties

Molecular Weight:322.34
XLogP3:-0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:322.07357611
Monoisotopic Mass:322.07357611
Topological Polar Surface Area:150
Heavy Atom Count:22
Complexity:461
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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