2',3',5'-Tri-O-acetyl Guanosine - CAS 6979-94-8
Catalog: |
BB033977 |
Product Name: |
2',3',5'-Tri-O-acetyl Guanosine |
CAS: |
6979-94-8 |
Synonyms: |
2',3',5'-Triacetylguanosine; Guanosine 2',3',5'-triacetate; Guanosine Triacetate; NSC 66387; Triacetylguanosine |
IUPAC Name: | [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl acetate |
Description: | 2',3',5'-Tri-O-acetyl Guanosine (CAS# 6979-94-8) is a compound useful in organic synthesis. |
Molecular Weight: | 409.35 |
Molecular Formula: | C16H19N5O8 |
Canonical SMILES: | CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(NC3=O)N)OC(=O)C)OC(=O)C |
InChI: | InChI=1S/C16H19N5O8/c1-6(22)26-4-9-11(27-7(2)23)12(28-8(3)24)15(29-9)21-5-18-10-13(21)19-16(17)20-14(10)25/h5,9,11-12,15H,4H2,1-3H3,(H3,17,19,20,25)/t9-,11-,12-,15-/m1/s1 |
InChI Key: | ULXDFYDZZFYGIY-SDBHATRESA-N |
Boiling Point: | 655.8 ℃ at 760 mmHg |
Melting Point: | 226-231 ℃ (lit.) |
Purity: | 98 % |
Density: | 1.7±0.1 g/cm3 |
Solubility: | Soluble in DMSO (Slightly) |
Appearance: | White powder |
Storage: | Store at 2-8 ℃ |
MDL: | MFCD00057054 |
LogP: | -0.39310 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
20384308 | 20100615 | Structure and gelation mechanism of tunable guanosine-based supramolecular hydrogels | Langmuir : the ACS journal of surfaces and colloids |
20415485 | 20100520 | Oxidative modification of guanine bases initiated by oxyl radicals derived from photolysis of azo compounds | The journal of physical chemistry. B |
19371040 | 20090804 | Tailoring the properties of guanosine-based supramolecular hydrogels | Langmuir : the ACS journal of surfaces and colloids |
18159932 | 20080201 | Pathways of arachidonic acid peroxyl radical reactions and product formation with guanine radicals | Chemical research in toxicology |
12924924 | 20030801 | Oxidative generation of guanine radicals by carbonate radicals and their reactions with nitrogen dioxide to form site specific 5-guanidino-4-nitroimidazole lesions in oligodeoxynucleotides | Chemical research in toxicology |
Complexity: | 743 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 4 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 409.12336258 |
Formal Charge: | 0 |
Heavy Atom Count: | 29 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 409.12336258 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 173 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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