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4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carboxamide

4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carboxamide structure

CAS No:
34625-14-4
Formula:
C13H17N5O5S
Chemical Name:
4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carboxamide
Synonyms:
4-amino-6-(methylsulfanyl)-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine-5-carboxamide; 7H-Pyrrolo[2,3-d]pyrimidine-5-carboxamide,4-amino-6-(methylthio)-7-pentofuranosyl; 6-Methylthiosangivamycin;

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4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carboxamide Basic Attributes

Molecular Weight：

355.37000

Exact Mass：

355.09503983 g/mol

NSC Number：

117838

Characteristics

PSA：

195.04000

XLogP3：

-0.27270

Density：

1.98g/cm3

Boiling Point：

787.5ºC at 760 mmHg

Flash Point：

430ºC

Refractive Index：

1.864

Computed Properties

Molecular Weight:355.37
XLogP3:-1.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:355.09503983
Monoisotopic Mass:355.09503983
Topological Polar Surface Area:195
Heavy Atom Count:24
Complexity:488
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carboxamide

Basic Attributes
Characteristics
Computed Properties

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