B9H
Summary
| Name: | 2'-methyl, 3-propyl, cytidine-5'-monophosphate |
| Formula: | C13 H24 N3 O8 P |
| Formal charge: | 0 |
| Formula weight: | 381.319 Da |
| Component type: | RNA linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-3-propyl-4~{H}-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H24N3O8P/c1-3-5-15-9(14)4-6-16(13(15)18)12-11(22-2)10(17)8(24-12)7-23-25(19,20)21/h4,6,8-12,17H,3,5,7,14H2,1-2H3,(H2,19,20,21)/t8-,9-,10-,11-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | GQHNKIBEOWBMPQ-LZQZFOIKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCN1[C@@H](N)C=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2OC)C1=O |
| SMILES | CACTVS | 3.385 | CCCN1[CH](N)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OC)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCN1C(C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)OC)N |
