6-Azauridine

CAT: 0024-sc-221082Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-221082Size:1 g

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CAS Number

54-25-1

Chemical Information

6-Azauridine

6-azauridine is a N-glycosyl-1,2,4-triazine. It has a role as an antimetabolite, an antineoplastic agent and a drug metabolite.

CAS Number	54-25-1
PubChem CID	5901
IUPAC Name	2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
Molecular Formula	C8H11N3O6
Molecular Weight	245.19
XLogP	-2.1
Topological Polar Surface Area	132
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	372

SMILES

C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

InChI

InChI=1S/C8H11N3O6/c12-2-3-5(14)6(15)7(17-3)11-8(16)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,16)/t3-,5-,6-,7-/m1/s1

InChIKey

WYXSYVWAUAUWLD-SHUUEZRQSA-N

Chemical Structure

2D Structure

CAS: 54-25-1

CID: 5901

Formula: C8H11N3O6

MW: 245.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.19
XLogP3	-2.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	245.06478508
Monoisotopic Mass	245.06478508
Topological Polar Surface Area	132 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	372
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
295119-01	6-Azauridine
HY-154909	6-Azauridine triphosphate
437891-01	6-Azauridine Triacetate
HY-W039272-01	2-Thio-6-azauridine
MBS5826675	2'-Deoxy-6-azauridine
295238-01	6-Azauridine-5'-monophosphate
HY-154909A-01	6-Azauridine triphosphate (ammonium)
NA184584-01	6-Azauridine-5'-monophosphate sodium