| CAS Number | 876707-99-2 |
| Catalog Number | AG00GU08(AGN-PC-0VFRBU) |
| Chemical Name | 6H-Furo[2',3' |
| IUPAC Name | (2R,4R,5S,6S)-4-azido-5-hydroxy-4-(hydroxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one |
| InChI | InChI=1S/C9H9N5O5/c10-13-12-9(3-15)6(17)5-7(19-9)14-2-1-4(16)11-8(14)18-5/h1-2,5-7,15,17H,3H2/t5-,6-,7+,9+/m0/s1 |
| InChI Key | HXIRTOCBJXONPW-XZMZPDFPSA-N |
| MDL Number | MFCD23160110 |
| Molecular Formula | C9H9N5O5 |
| Molecular Weight | 267.1983 |
| SMILES | [C@@]1(N=[N+]=[N-])(CO)O[C@H]2N3C=CC(=O)N=C3O[C@H]2[C@@H]1O |
| Synonyms | Nucleoside-Analog-1,
876707-99-2,
6H-Furo[2',3',
SCHEMBL14188218,
CS-M1995,
ZINC59026194,
6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-azido-2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, (2R,3S,3aS,9aR)-,
HY-77651,
CS-4160,
|
| Complexity | 541 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.201g/mol |
| Monoisotopic Mass | 267.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number