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2,4(1H,3H)-Pyrimidinedione, 5,6-bis(2-phenylhydrazino)-1-beta-L-ribofuranosyl-

HCID 494050
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Basic information

CAS
31842-86-1
Standard SMILES
O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(NNc2ccccc2)c1NNc1ccccc1
InChIKey
GGTHPPLAVIJDAZ-VERUCKTNSA-N
Molecular formula
C21H24N6O6
Average molar mass
456.5 g/mol
Monoisotopic mass
456.17573251

Names & identifiers

Preferred name
2,4(1H,3H)-Pyrimidinedione, 5,6-bis(2-phenylhydrazino)-1-beta-L-ribofuranosyl-
IUPAC
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-bis(2-phenylhydrazinyl)pyrimidine-2,4-dione

Names & synonyms

NSC 8395631842-86-12,4(1H,3H)-Pyrimidinedione, 5,6-bis(2-phenylhydrazino)-1-beta-L-ribofuranosyl-NSC839562,4(1H,3H)-Pyrimidinedione, 5,6-bis(2-phenylhydrazino)-1-.beta.-L-ribofuranosyl-1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5,6-bis(2-phenylhydrazino)pyrimidine-2,4-dione

Database identifiers

CAS
31842-86-1
PubChem CID
494050

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
167 Ų
Hydrogen bond donors
8
Hydrogen bond acceptors
10
Rotatable bonds
8
Heavy atoms
33
Formal charge
0
Complexity
739

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