Chem
J-GLOBAL ID:200907068284410371
Nikkaji number:J549.659D
COA-CL
2-クロロオキセタノシンA
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C10 H12 ClN5 O3
Molecular formula furigana:
C10-H12-CL-N5-O3
Molecular weight:
285.690
InChI:
InChI=1S/C10H12ClN5O3/c11-10-14-7(12)6-8(15-10)16(3-13-6)9-4(1-17)5(2-18)19-9/h3-5,9,17-18H,1-2H2,(H2,12,14,15)/t4-,5-,9-/m1/s1
InChI key:
GGXZMVIYFXAMNX-UDJQAZALSA-N
SMILES:
Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@H]1CO
Systematic name (3):
(2S)-4α-(2-クロロ-6-アミノ-9H-プリン-9-イル)-2α,3β-オキセタンジメタノール
[(2S,3R,4R)-4-(6-アミノ-2-クロロ-9H-プリン-9-イル)-3-(ヒドロキシメチル)オキセタン-2-イル]メタノール
[(2S,3R,4R)-4-(6-amino-2-chloro-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methanol
Other name (4):
2-クロロオキセタノシンA
2-Chlorooxetanocin A
(2S)-4α-(2-Chloro-6-amino-9H-purin-9-yl)-2α,3β-oxetanedimethanol
COA-CL
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