[Synonyms]
pentostatin
Deoxycoformycin
Nipent
Covidarabine
Oncopent
Vidarbine
Coforin
2'-Deoxycoformycin
Nipent (TN)
Pentostatin (JAN/USAN/INN)
[Structure]
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: (8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,
8-dihydro-4H-imidazo[4,5-f][1,3]diazepin-8-ol
Canonical SMILES: C1C(C(OC1N2C=NC3=C2NC=NCC3O)CO)O
Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC[C@H]3O)CO)O
InChI: InChI=1/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11
(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1/f/h13H
pentostatin
Deoxycoformycin
Nipent
Covidarabine
Oncopent
Vidarbine
Coforin
2'-Deoxycoformycin
Nipent (TN)
Pentostatin (JAN/USAN/INN)
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 268.26914 [g/mol] |
| Molecular Formula | C11H16N4O4 |
| XLogP | -1.1 |
| H-Bond Donor | 4 |
| H-Bond Acceptor | 8 |
| Rotatable Bond Count | 2 |
| Tautomer Count | 2 |
| Exact Mass | 268.117155 |
| MonoIsotopic Mass | 268.117155 |
| Topological Polar Surface Area | 112 |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 356 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 4 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: (8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,
8-dihydro-4H-imidazo[4,5-f][1,3]diazepin-8-ol
Canonical SMILES: C1C(C(OC1N2C=NC3=C2NC=NCC3O)CO)O
Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC[C@H]3O)CO)O
InChI: InChI=1/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11
(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1/f/h13H
