MUM
5'-O-(dihydroxyphosphanyl)-5-methyl-5,6-dihydrouridine
Created: | 2018-06-04 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 38 |
Chiral Atom Count | 5 |
Bond Count | 39 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 5'-O-(dihydroxyphosphanyl)-5-methyl-5,6-dihydrouridine |
Systematic Name (OpenEye OEToolkits) | [(2~{R},3~{S},4~{R},5~{R})-5-[(5~{R})-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphite |
Formula | C10 H17 N2 O8 P |
Molecular Weight | 324.224 |
Type | RNA LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(C(NC(N(C1)C2OC(C(O)C2O)COP(O)O)=O)=O)C |
SMILES | CACTVS | 3.385 | C[CH]1CN([CH]2O[CH](COP(O)O)[CH](O)[CH]2O)C(=O)NC1=O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1CN(C(=O)NC1=O)C2C(C(C(O2)COP(O)O)O)O |
Canonical SMILES | CACTVS | 3.385 | C[C@@H]1CN([C@@H]2O[C@H](COP(O)O)[C@@H](O)[C@H]2O)C(=O)NC1=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | C[C@@H]1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C10H17N2O8P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(20-9)3-19-21(17)18/h4-7,9,13-14,17-18H,2-3H2,1H3,(H,11,15,16)/t4-,5-,6-,7-,9-/m1/s1 |
InChIKey | InChI | 1.03 | DIQYSSQJRBHEDN-DMKSXPFUSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 137349766 |