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2,3’-Anhydrothymidine

CAT: 0572-TRC-A656500-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A656500-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15981-92-7
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CC1=CN2[C@H]3C[C@@H](OC2=NC1=O)[C@@H](CO)O3
Molecular Formula
C10H12N2O4
Molecular Weight
224.21
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2,5-Methano-5H,9H-pyrimido(2,1-b)(1,5,3)dioxazepin-9-one, 2,3-dihydro-3-(hydroxymethyl)-8-methyl-, (2R,3R,5R)-
CAS Number15981-92-7
PubChem CID457982
IUPAC Name(1R,9R,10R)-10-(hydroxymethyl)-4-methyl-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one
Molecular FormulaC10H12N2O4
Molecular Weight224.21
XLogP-0.4
Topological Polar Surface Area71.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity404
SMILES
CC1=CN2[C@H]3C[C@H]([C@H](O3)CO)OC2=NC1=O
InChI
InChI=1S/C10H12N2O4/c1-5-3-12-8-2-6(7(4-13)15-8)16-10(12)11-9(5)14/h3,6-8,13H,2,4H2,1H3/t6-,7-,8-/m1/s1
InChIKey
JCSNHEYOIASGKU-BWZBUEFSSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Methano-5H,9H-pyrimido(2,1-b)(1,5,3)dioxazepin-9-one, 2,3-dihydro-3-(hydroxymethyl)-8-methyl-, (2R,3R,5R)-
CAS: 15981-92-7
CID: 457982
Formula: C10H12N2O4
MW: 224.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.21
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass224.07970687
Monoisotopic Mass224.07970687
Topological Polar Surface Area71.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity404
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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