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2’,3’-Di-O-methyladenosine

CAT: 0572-TRC-D451865-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D451865-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20649-46-1
Hazard Statement
No Data Available
Smiles
COC1[C@@H](CO)O[C@H](C1OC)n2cnc3c(N)ncnc23
Molecular Formula
C12 H17 N5 O4
Molecular Weight
295.294
InChI
InChI=1S/C12H17N5O4/c1-19-8-6(3-18)21-12(9(8)20-2)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18H,3H2,1-2H3,(H2,13,14,15)/t6-,8?,9?,12-/m1/s1
Additionnal Information
IUPAC name: [(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dimethoxyoxolan-2-yl]methanol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2',3'-Dimethoxyadenosine
CAS Number20649-46-1
PubChem CID22880802
IUPAC Name[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dimethoxyoxolan-2-yl]methanol
Molecular FormulaC12H17N5O4
Molecular Weight295.29
XLogP-0.5
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity363
SMILES
CO[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C12H17N5O4/c1-19-8-6(3-18)21-12(9(8)20-2)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18H,3H2,1-2H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
InChIKey
YLTDWADIGWTCSP-WOUKDFQISA-N
Chemical Structure
2D Structure
2D structure of 2',3'-Dimethoxyadenosine
CAS: 20649-46-1
CID: 22880802
Formula: C12H17N5O4
MW: 295.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.29
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass295.12805404
Monoisotopic Mass295.12805404
Topological Polar Surface Area118 Ų
Heavy Atom Count21
Formal Charge0
Complexity363
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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