MMX
Summary
| Name: | 3-ethyl-3,4,5,6-tetrahydrocytidine 5'-(dihydrogen phosphate) |
| Formula: | C11 H22 N3 O8 P |
| Formal charge: | 0 |
| Formula weight: | 355.281 Da |
| Component type: | RNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-ethyl-3,4,5,6-tetrahydrocytidine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},4~{R},5~{R})-5-[(4~{S})-4-azanyl-3-ethyl-2-oxidanylidene-1,3-diazinan-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC1OC(N2CCC(N)N(CC)C2=O)C(O)C1O |
| InChI | InChI | 1.03 | InChI=1S/C11H22N3O8P/c1-2-13-7(12)3-4-14(11(13)17)10-9(16)8(15)6(22-10)5-21-23(18,19)20/h6-10,15-16H,2-5,12H2,1H3,(H2,18,19,20)/t6-,7+,8-,9-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | YFXIRUNUMADJET-JDDHQFAOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1[C@H](N)CCN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C1=O |
| SMILES | CACTVS | 3.385 | CCN1[CH](N)CCN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1[C@@H](CCN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN1C(CCN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)N |
