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pentostatin ,Deoxycoformycin ,Nipent ,Covidarabine ,Oncopent,Vidarbine

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摘 要:pentostatin ,Deoxycoformycin ,Nipent ,Covidarabine ,Oncopent,Vidarbine,Coforin,2'-Deoxycoformycin ,Nipent (TN),Pentostatin (JAN/USAN/INN), (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
[Synonyms]
pentostatin
Deoxycoformycin
Nipent
Covidarabine
Oncopent
Vidarbine
Coforin
2'-Deoxycoformycin
Nipent (TN)
Pentostatin (JAN/USAN/INN)

[Structure]
pentostatin ,Deoxycoformycin ,Nipent ,Covidarabine ,Oncopent,Vidarbine

[ Properties Computed from Structure]
Molecular Weight268.26914 [g/mol]
Molecular FormulaC11H16N4O4
XLogP-1.1
H-Bond Donor4
H-Bond Acceptor8
Rotatable Bond Count2
Tautomer Count2
Exact Mass268.117155
MonoIsotopic Mass268.117155
Topological Polar Surface Area112
Heavy Atom Count19
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom StereoCenter Count4
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ 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

 
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