2-(6-Aminopurin-9-yl)-4-(hydroxymethyl)oxolan-3-ol
PubChem CID: 267645
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| Compound Synonyms | NSC107179, NSC108075, NSC-107179, NSC-108075 |
|---|---|
| Topological Polar Surface Area | 119.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 307.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(6-aminopurin-9-yl)-4-(hydroxymethyl)oxolan-3-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -0.2 |
| Is Pains | False |
| Molecular Formula | C10H13N5O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KQLDDLUWUFBQHP-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 2-(6-Aminopurin-9-yl)-4-(hydroxymethyl)oxolan-3-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 251.102 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 251.102 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 251.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4971252000000002 |
| Inchi | InChI=1S/C10H13N5O3/c11-8-6-9(13-3-12-8)15(4-14-6)10-7(17)5(1-16)2-18-10/h3-5,7,10,16-17H,1-2H2,(H2,11,12,13) |
| Smiles | C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)CO |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients