基本情報
- CAS
130004-43-2- 標準SMILES
CC(CCOP([O-])(=S)OC(C)CCOP([O-])(=S)OC(C)CCOP([O-])(=S)OC(C)CCOP([O-])(=S)OC(C)CCOP([O-])(=S)OC(C)CCOP([O-])(=S)OC(C)CCOP([O-])(=S)OC(C)CCOP([O-])(=S)OC(C)CCOP([O-])(=S)OC(C)CCOP([O-])(=S)OC(C)CCOP([O-])(=S)OC(C)CCOP([O-])(=S)OC(C)CCOP([O-])(=S)OC1CC(n2ccc(N)nc2=O)OC1CO)OP([O-])(=S)OCCC(C)OP([O-])(=S)OCCC(C)OP([O-])(=S)OCCC(C)OP([O-])(=S)OCCC(C)OP([O-])(=S)OCCC(C)OP([O-])(=S)OCCC(C)OP([O-])(=S)OCCC(C)OP([O-])(=S)OCCC(C)OP([O-])(=S)OCCC(C)OP([O-])(=S)OCCC(C)OP([O-])(=S)OCCC(C)OP([O-])(=S)OCCC(C)OP([O-])(=S)OCCC(C)OP([O-])(=S)OCC1OC(n2ccc(N)nc2=O)CC1O- InChIKey
BJJOWKBBRPDBGV-UHFFFAOYSA-A- 分子式
- C122H232N6O87P27S27-27
- 平均分子量
- 4,877 g/mol
- 単同位体質量
- 4,872.9289189
名称と識別子
- 優先名称
- (26-oligoPO2SBuDiol)DiC
- IUPAC
- 4-amino-1-[5-[[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxybutan-2-yloxy-oxidophosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one
名称と別名
130004-43-2AC1L9Q5E(26-oligoPO2SBuDiol)DiCDTXSID30332346(26 mer oligophosphorothioatebutane-1,3-diol)dicytosine
データベース識別子
- CAS
130004-43-2- PubChem CID
- 452196
- DTXSID
DTXSID30332346
物性
構造計算による物性
- XLogP
- 28.1
- 極性表面積
- 2,160 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 114
- 回転可能結合数
- 164
- 重原子数
- 269
- 形式電荷
- -27
- 複雑度
- 8,710
関連反応
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