Forodesine

CAT: 0607-BA2862-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2862-50Size:50 mg

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CAS Number

209799-67-7

Form

A solid

Molecular Formula

C11H14N4O4

Molecular Weight

266.25

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Forodesine

Immucillin H is a pyrrolopyrimidine and a dihydroxypyrrolidine.

CAS Number	209799-67-7
PubChem CID	135409409
IUPAC Name	7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
Molecular Formula	C11H14N4O4
Molecular Weight	266.25
XLogP	-2.3
Topological Polar Surface Area	130
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	404

SMILES

C1=C(C2=C(N1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O

InChI

InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1

InChIKey

IWKXDMQDITUYRK-KUBHLMPHSA-N

Chemical Structure

2D Structure

CAS: 209799-67-7

CID: 135409409

Formula: C11H14N4O4

MW: 266.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	266.25
XLogP3	-2.3
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	266.10150494
Monoisotopic Mass	266.10150494
Topological Polar Surface Area	130 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	404
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
MD11591-01	Forodesine
MBS3845346-01	Forodesine hydrochloride
HY-16209-01	Forodesine (hydrochloride)
A20903-10	Forodesine 10mg
A20903-5	Forodesine 5mg
A20903-2	Forodesine 2mg
A20903-1	Forodesine 1mg
A20903-50	Forodesine 50mg
A20903-25	Forodesine 25mg
A20908-5	Forodesine hydrochloride 5mg