Chemical : (2R,5S)-2-(6-Amino-9H-purin-9-yl)-5-{[(hydroxy{[hydroxy(phosphanyloxy)phosphoryl]oxy}phosphoryl)oxy]methyl}oxolane-3,4-diyl
Casrn : 102783-61-9 |
MolName : (2R,5S)-2-(6-Amino-9H-purin-9-yl)-5-{[(hydroxy{[hydroxy(phosphanyloxy)phosphoryl]oxy}phosphoryl)oxy]methyl}oxolane-3,4-diyl |
MolecularFormula : C10H14N5O8P3 |
Smiles : Nc1c2ncn([C@@H]3O[C@H](COP(O)(OP(O)(OP)=O)=O)CC3)c2ncn1 |
InChI : InChI=1S/C10H14N5O8P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(21-7)3-20-25(16,17)23-26(18,19)22-24/h1-2,4-7H,3,24H2,(H,16,17)(H,18,19)(H2,11,12,13)/t6-,7-/m0/s1 |
InChIK : LWOSDYWLTWLFID-BQBZGAKWSA-N |
CanonicalSyTyLFy : bf107abd83764a04 |
TotalMolweight : 425.17 |
Molweight : 425.17 |
MonoisotopicMass : 425.005526 |
CLogP : -4.6165 |
CLogS : -1.489 |
H Acceptors : 13 |
H Donors : 3 |
TotalSurfaceArea : 232.11 |
Relative PSA : 0.66904 |
PolarSurfaceArea : 200.76 |
Druglikeness : -27.44 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.57692 |
Molecula Flexibility : 0.583 |
Molecular Complexity : 0.85592 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 16 |
Electronegative Atoms : 16 |
StereoCenters : 4 |
Rotatable Bond : 7 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 9 |
Sp3Atoms : 14 |
Aromatic Nitrogens : 4 |
BasicNitrogens : 1 |
AcidicOxygens : 2 |
StereoCon : unknown chirality |
| CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
|---|---|---|---|---|---|---|
| 1000-91-5 | none | none | high | C5H14OSi | 118.251 | -35.679 |
| 100023-32-3 | high | high | none | CH3O4S.C20H19N2O | 303.384 | 0.7545 |
| 1000-23-3 | high | high | low | C4H6O4Cl2Sn | 307.704 | -8.6766 |
| 100031-92-3 | none | none | high | C10H30OSi4 | 278.691 | -53.619 |
| 1000018-58-5 | none | none | none | C6H4NBr2Cl | 285.366 | -3.6 |
| 1000000-13-4 | high | high | high | C21H28O12 | 472.441 | -0.17986 |
| 10000-51-8 | none | none | none | C14H15NO3 | 245.277 | 0.10503 |
| 1000-36-8 | none | none | none | C11H25O3P | 236.29 | -27.011 |
| 100-27-6 | low | none | none | C8H9NO3 | 167.163 | -9.2735 |
| 100001-06-7 | none | none | none | I.C20H28NO | 298.448 | -2.3411 |
| 100-21-0 | high | none | high | C8H6O4 | 166.132 | -1.8442 |
| 1000279-69-5 | none | none | none | C20H19N2O3ClS | 402.901 | 5.7907 |
| 1000018-48-3 | none | none | none | C12H15NO4S | 269.32 | 1.5148 |
| 100021-46-3 | none | none | none | C9H11NO2 | 165.191 | -3.1955 |
| 1000018-39-2 | high | high | low | C13H20N2O2S | 268.38 | 1.9315 |
| 1000120-98-8 | high | none | high | C230H305N67O122P19S19 | 7158.06 | -20.81 |
| 100-44-7 | high | high | none | C7H7Cl | 126.586 | -2.365 |
| 100-95-8 | none | none | none | Cl.C23H41N2O | 361.592 | -17.647 |
| 100008-89-7 | none | none | none | C11H10N4O3 | 246.225 | -1.8465 |
| 1000025-59-1 | none | none | none | C14H11O3Cl | 262.691 | -1.449 |
| 1000339-29-6 | none | none | none | C14H15N2OBr | 307.19 | -5.8756 |
| 100-02-7 | none | none | none | C6H5NO3 | 139.11 | -7.5665 |
| 100031-76-3 | none | none | none | C30H44NO8P | 577.652 | -46.719 |
| 1000-50-6 | none | none | high | C6H15ClSi | 150.724 | -84.768 |
| 1000-78-8 | high | low | none | C11H24N2 | 184.326 | -10.254 |
| 100-87-8 | none | none | none | C7H8O3S | 172.204 | -10.732 |
| 100027-33-6 | none | none | none | I.C21H27N2O | 323.458 | 3.6949 |
| 100-55-0 | none | none | none | C6H7NO | 109.128 | -1.9045 |
| 1000339-28-5 | none | none | none | C14H8N2OBrCl | 335.588 | -0.59356 |
| 100004-92-0 | none | none | none | C16H11NO2 | 249.268 | -1.5746 |
| 100-61-8 | high | none | none | C7H9N | 107.155 | -0.23765 |
| 100-62-9 | low | none | none | C7H7N | 105.14 | -1.1924 |
| 1000339-34-3 | none | none | none | C11H12N3OBr | 282.14 | -5.9074 |
| 100-14-1 | high | high | low | C7H6NO2Cl | 171.583 | -7.5061 |
| 1000010-11-6 | none | none | none | C28H44N2O2 | 440.669 | -21.689 |
| 1000339-30-9 | none | none | none | C8H10N3Cl | 183.641 | 2.1 |
| 100008-90-0 | none | none | none | C12H11N3O3 | 245.237 | -1.9187 |
| 100005-44-5 | high | none | low | C7H5O2ClS | 188.634 | -11.771 |
| 100009-99-2 | low | high | none | C21H25NO4 | 355.433 | 2.9337 |
| 100007-57-6 | none | none | none | C72H113N19O24S6 | 1821.19 | -13.821 |
| 100009-92-5 | none | none | none | C20H23NO4 | 341.406 | 4.6216 |
| 100-45-8 | none | none | high | C7H9N | 107.155 | -10.018 |
| 1000339-27-4 | none | none | none | C14H8N3O3Br | 346.14 | -5.8142 |
| 1000017-94-6 | none | none | none | C8H5N2O2Cl | 196.593 | 2.9136 |
| 100033-28-1 | low | none | high | C6H9N7 | 179.186 | -2.3035 |
| 1000068-24-5 | none | none | low | C13H15NO4BCl | 295.529 | -44.638 |
| 100007-40-7 | none | none | none | C31H42N4O7 | 582.695 | -0.42167 |
| 10000-20-1 | none | low | high | C12H32N2Si2 | 260.572 | -64.51 |
| 1000303-67-2 | none | none | none | C6H8N2O | 124.143 | 2.717 |
| 100009-88-9 | none | none | none | C18H45N7 | 359.604 | -4.1108 |
| 10-13-2009 | none | none | none | C15H14O5 | 274.271 | -1.4702 |
| 1000339-32-1 | none | none | none | C11H14NF | 179.237 | 0.6275 |
| 1000339-26-3 | none | none | none | C14H7N2OBrCl2 | 370.033 | -0.59356 |
| 100-51-6 | high | high | high | C7H8O | 108.14 | -2.2456 |
| 100-16-3 | low | high | none | C6H7N3O2 | 153.141 | -9.8627 |
| 1000296-71-8 | none | none | high | C19H27NO8S3 | 493.62 | -2.9952 |
| 100-63-0 | high | high | none | C6H8N2 | 108.144 | -4.3224 |
| 100-90-3 | none | none | none | C14H16N4O3S | 320.372 | 4.7301 |
| 100-54-9 | none | none | none | C6H4N2 | 104.112 | -6.0498 |
| 1000-40-4 | high | none | low | C10H24S2Sn | 327.143 | -7.0269 |
2 Click to Load Molecule - (2R,5S)-2-(6-Amino-9H-purin-9-yl)-5-{[(hydroxy{[hydroxy(phosphanyloxy)phosphoryl]oxy}phosphoryl)oxy]methyl}oxolane-3,4-diyl
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