8RO
Summary
| Name: | [(2~{R},3~{S},5~{R})-5-(5-methyl-2-oxidanylidene-7-thia-1,3-diazabicyclo[4.1.0]hept-5-en-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite |
| Formula: | C10 H15 N2 O6 P S |
| Formal charge: | 0 |
| Formula weight: | 322.275 Da |
| Component type: | DNA linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(2~{R},3~{S},5~{R})-5-(5-methyl-2-oxidanylidene-7-thia-1,3-diazabicyclo[4.1.0]hept-5-en-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H15N2O6PS/c1-5-3-11(10(14)12-9(5)20-12)8-2-6(13)7(18-8)4-17-19(15)16/h6-8,13,15-16H,2-4H2,1H3/t6-,7+,8+,12?/m0/s1 |
| InChIKey | InChI | 1.03 | GSELOCGYYRGWPL-AARIFPKGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C2SN2C(=O)N(C1)[C@H]3C[C@H](O)[C@@H](COP(O)O)O3 |
| SMILES | CACTVS | 3.385 | CC1=C2SN2C(=O)N(C1)[CH]3C[CH](O)[CH](COP(O)O)O3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=C2N(S2)C(=O)N(C1)[C@H]3C[C@@H]([C@H](O3)COP(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1=C2N(S2)C(=O)N(C1)C3CC(C(O3)COP(O)O)O |
