5-Iodotubercidin 25mg

CAT: 0628-A13948-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A13948-25Size:25 mg

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CAS Number

24386-93-4

Chemical Information

5-Iodotubercidin

5-iodotubercidin is an organoiodine compound. It is functionally related to a tubercidin.

CAS Number	24386-93-4
PubChem CID	97297
IUPAC Name	(2R,3R,4S,5R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular Formula	C11H13IN4O4
Molecular Weight	392.15
XLogP	-0.7
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	365

SMILES

C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I

InChI

InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1

InChIKey

WHSIXKUPQCKWBY-IOSLPCCCSA-N

Chemical Structure

2D Structure

CAS: 24386-93-4

CID: 97297

Formula: C11H13IN4O4

MW: 392.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	392.15
XLogP3	-0.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	391.99815
Monoisotopic Mass	391.99815
Topological Polar Surface Area	127 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	365
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

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