(2R,4S)-2-(4-Nitrophenoxy)-4-(4-pyridyl)-1,3,2-dioxaphosphinane 2-Oxide - CAS 685111-88-0
Catalog: |
BB033569 |
Product Name: |
(2R,4S)-2-(4-Nitrophenoxy)-4-(4-pyridyl)-1,3,2-dioxaphosphinane 2-Oxide |
CAS: |
685111-88-0 |
Synonyms: |
2-(4-nitrophenoxy)-4-pyridin-4-yl-1,3,2$l^{5}-dioxaphosphorinane 2-oxide; 2-(4-nitrophenoxy)-4-pyridin-4-yl-1,3,2$l^{5}-dioxaphosphinane 2-oxide |
IUPAC Name: | (4S)-2-(4-nitrophenoxy)-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinane 2-oxide |
Description: | (2R,4S)-2-(4-Nitrophenoxy)-4-(4-pyridyl)-1,3,2-dioxaphosphinane 2-Oxide (CAS# 685111-88-0 ) is a useful research chemical. |
Molecular Weight: | 336.24 |
Molecular Formula: | C14H13N2O6P |
Canonical SMILES: | C1COP(=O)(OC1C2=CC=NC=C2)OC3=CC=C(C=C3)[N+](=O)[O-] |
InChI: | InChI=1S/C14H13N2O6P/c17-16(18)12-1-3-13(4-2-12)21-23(19)20-10-7-14(22-23)11-5-8-15-9-6-11/h1-6,8-9,14H,7,10H2 |
InChI Key: | HKSUSEMODQDQMJ-UHFFFAOYSA-N |
LogP: | 4.17810 |
Publication Number | Title | Priority Date |
EP-2396340-B1 | Carba-nucleoside analogs for antiviral treatment | 20090210 |
US-2010203015-A1 | Carba-nucleoside analogs for antiviral treatment | 20090210 |
US-8012942-B2 | Carba-nucleoside analogs for antiviral treatment | 20090210 |
EP-2268642-B1 | 1' -substituted carba-nucleoside analogs for antiviral treatment | 20080423 |
EP-2280973-A1 | Carba-nucleoside analogs for antiviral treatment | 20080423 |
Complexity: | 457 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 336.05112314 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 336.05112314 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 104 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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