Antiviral agent 17

CAT: 0127-BUP02161-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP02161-01Size:5 mg

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CAS Number

158227-81-7

Purity

=98%

Smiles

O[C@H]1[C@H](C=2N3C(=CC2)C(N)=NC=N3)O[C@H](CO)[C@H]1O

Chemical Information

Antiviral agent 17

CAS Number	158227-81-7
PubChem CID	10264872
IUPAC Name	(2S,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular Formula	C11H14N4O4
Molecular Weight	266.25
XLogP	-1.7
Topological Polar Surface Area	126
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	334

SMILES

C1=C(N2C(=C1)C(=NC=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

InChI

InChI=1S/C11H14N4O4/c12-11-6-2-1-5(15(6)14-4-13-11)10-9(18)8(17)7(3-16)19-10/h1-2,4,7-10,16-18H,3H2,(H2,12,13,14)/t7-,8-,9-,10+/m1/s1

InChIKey

IGZFWIAREXANMY-KYXWUPHJSA-N

Chemical Structure

2D Structure

CAS: 158227-81-7

CID: 10264872

Formula: C11H14N4O4

MW: 266.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	266.25
XLogP3	-1.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	266.10150494
Monoisotopic Mass	266.10150494
Topological Polar Surface Area	126 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	334
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