2,4-diamino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID: 11968302
Connections displayed (default: 10).
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| Topological Polar Surface Area | 193.0 |
|---|---|
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 434.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | 2,4-diamino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydro-1H-pyrimidin-6-one |
| Prediction Hob | 0.0 |
| Xlogp | -4.6 |
| Molecular Formula | C10H18N4O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OJXJYCZNYLAJJN-PEZDQLOGSA-N |
| Fcsp3 | 0.8 |
| Logs | -0.347 |
| Rotatable Bond Count | 3.0 |
| Logd | -2.852 |
| Compound Name | 2,4-diamino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydro-1H-pyrimidin-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.118 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.118 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 306.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.7585950000000001 |
| Inchi | InChI=1S/C10H18N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-7,9,15-18H,1,11H2,(H3,12,13,14,19)/t2-,3-,4+,5-,6?,7?,9+/m1/s1 |
| Smiles | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2C(N=C(NC2=O)N)N)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Momordica Charantia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Vicia Sativa (Plant) Rel Props:Source_db:cmaup_ingredients