Aristeromycin

CAT: 0926-NC29204-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-NC29204-02Size:10 mg

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CAS Number

19186-33-5

Synonyms

9- (2,3-Dihydroxy-4-[hydroxymethyl]cyclopentyl) adenine; Carbocyclic adenosine

MDL Number

MFCD00078836

Smiles

C1[C@@H] ([C@H] ([C@H] ([C@@H]1N2C=NC3=C (N=CN=C32) N) O) O) CO

Molecular Formula

C11H15N5O3

Molecular Weight

265.27 g/mol

Controlled

Chemical Information

Aristeromycin

Aristeromycin is a member of purines and a nucleoside analogue.

CAS Number	19186-33-5
PubChem CID	65269
IUPAC Name	(1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Molecular Formula	C11H15N5O3
Molecular Weight	265.27
XLogP	-0.5
Topological Polar Surface Area	130
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	333

SMILES

C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)O)CO

InChI

InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1

InChIKey

UGRNVLGKAGREKS-GCXDCGAKSA-N

Chemical Structure

2D Structure

CAS: 19186-33-5

CID: 65269

Formula: C11H15N5O3

MW: 265.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	265.27
XLogP3	-0.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	265.11748936
Monoisotopic Mass	265.11748936
Topological Polar Surface Area	130 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	333
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