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2- (2-Cyclohexylethoxy) adenosine

CAT: 0926-NC16523-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-NC16523-02Size:100 mg
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CAS Number
131933-18-1
Synonyms
WRC 0013
Smiles
C1CCC (CC1) CCOC2=NC (=C3C (=N2) N (C=N3) [C@H]4[C@@H] ([C@@H] ([C@H] (O4) CO) O) O) N
Molecular Formula
C18H27N5O5
Molecular Weight
393.44 g/mol
Controlled
No

Chemical Information

2-(2-Cyclohexylethoxy)adenosine
CAS Number131933-18-1
PubChem CID131450
IUPAC Name(2R,3R,4S,5R)-2-[6-amino-2-(2-cyclohexylethoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular FormulaC18H27N5O5
Molecular Weight393.4
XLogP2.4
Topological Polar Surface Area149
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity511
SMILES
C1CCC(CC1)CCOC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N
InChI
InChI=1S/C18H27N5O5/c19-15-12-16(22-18(21-15)27-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(26)13(25)11(8-24)28-17/h9-11,13-14,17,24-26H,1-8H2,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1
InChIKey
VHMUQIWMOXQFBP-LSCFUAHRSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Cyclohexylethoxy)adenosine
CAS: 131933-18-1
CID: 131450
Formula: C18H27N5O5
MW: 393.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.4
XLogP32.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass393.20121898
Monoisotopic Mass393.20121898
Topological Polar Surface Area149 Ų
Heavy Atom Count28
Formal Charge0
Complexity511
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
0072842- (2-Cyclohexylethoxy) adenosine
MBS6112129-012-(2-Cyclohexylethoxy)adenosine
BA7563-10Adenosine-2-monophosphate
HY-1524202-Trifluoromethyl adenosine
T29347-012-Ethynyl Adenosine
T85411-012-Aza-ε-adenosine
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