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2'-O-Propargyl-rC (Bz)

CAT: 0013-GTR19279695-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279695-01Size:10 mg
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Description
2'-O-Propargyl-rC (Bz) is a monomeric material utilized in the synthesis of nucleic acids.
CAS Number
210096-41-6
Smiles
O (CC#C) [C@H]1[C@@H] (O[C@H] (CO) [C@H]1O) N2C (=O) N=C (NC (=O) C3=CC=CC=C3) C=C2
Molecular Formula
C19H19N3O6
Molecular Weight
385.38
Notes
For research use only.

Chemical Information

N-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CAS Number210096-41-6
PubChem CID21593352
IUPAC NameN-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Molecular FormulaC19H19N3O6
Molecular Weight385.4
XLogP1
Topological Polar Surface Area121
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity706
SMILES
C#CCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)CO)O
InChI
InChI=1S/C19H19N3O6/c1-2-10-27-16-15(24)13(11-23)28-18(16)22-9-8-14(21-19(22)26)20-17(25)12-6-4-3-5-7-12/h1,3-9,13,15-16,18,23-24H,10-11H2,(H,20,21,25,26)/t13-,15-,16-,18-/m1/s1
InChIKey
AZAKCGNNQUSBGN-GFOCRRMGSA-N
Chemical Structure
2D Structure
2D structure of N-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CAS: 210096-41-6
CID: 21593352
Formula: C19H19N3O6
MW: 385.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight385.4
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass385.12738533
Monoisotopic Mass385.12738533
Topological Polar Surface Area121 Ų
Heavy Atom Count28
Formal Charge0
Complexity706
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