[Synonyms]
enocitabine
Sunrabin
sunrabim
behenoyl ara-C
Sunrabin (TN)
Enocitabine (JAN)
BHAC
Enocitabine [INN:JAN]
Enocitabinum [INN-Latin]
N(4)-behenoyl ara-C
[Structure]
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: N-[1-[(2R,3S,4S,5R)-3,
4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]
docosanamide
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O
Isomeric SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)
CO)O)O
InChI: InChI=1/C31H55N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-
21-27(36)32-26-22-23-34(31(39)33-26)30-29(38)28(37)25(24-35)40-30/h22-
23,25,28-30,35,37-38H,2-21,24H2,1H3,(H,32,33,36,39)/t25-,28-,29+,
30-/m1/s1/f/h32H
enocitabine
Sunrabin
sunrabim
behenoyl ara-C
Sunrabin (TN)
Enocitabine (JAN)
BHAC
Enocitabine [INN:JAN]
Enocitabinum [INN-Latin]
N(4)-behenoyl ara-C
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 565.7849 [g/mol] |
| Molecular Formula | C31H55N3O6 |
| XLogP | 6.3 |
| H-Bond Donor | 4 |
| H-Bond Acceptor | 6 |
| Rotatable Bond Count | 23 |
| Tautomer Count | 4 |
| Exact Mass | 565.409087 |
| MonoIsotopic Mass | 565.409087 |
| Topological Polar Surface Area | 132 |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 774 |
| 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: N-[1-[(2R,3S,4S,5R)-3,
4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]
docosanamide
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O
Isomeric SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)
CO)O)O
InChI: InChI=1/C31H55N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-
21-27(36)32-26-22-23-34(31(39)33-26)30-29(38)28(37)25(24-35)40-30/h22-
23,25,28-30,35,37-38H,2-21,24H2,1H3,(H,32,33,36,39)/t25-,28-,29+,
30-/m1/s1/f/h32H
