基本情報
- CAS
289712-99-8- 標準SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3cc(/C=C/C(=O)NCCCCCCNC(=O)c4ccc5c(c4)C4(OC5=O)c5ccc(OC(=O)C(C)(C)C)cc5Oc5cc(OC(=O)C(C)(C)C)ccc54)c(=O)[nH]c3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1- InChIKey
CADOGPWQRZBAGJ-WTCNENMSSA-N- 分子式
- C79H89N6O17P
- 平均分子量
- 1,425.6 g/mol
名称と識別子
- 優先名称
- Fluorescein-dT phosphoramidite
- IUPAC
- [6-[6-[[(E)-3-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enoyl]amino]hexylcarbamoyl]-6'-(2,2-dimethylpropanoyloxy)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] 2,2-dimethylpropanoate
- 英語名
- Fluorescein-dT CEP
- 分子式
- C79H89N6O17P
- 分子量
- 1425.56
名称と別名
1194507-30-6289712-99-8Fluorescein-dT phosphoramiditeFluorescein-dT CE Phosphoramidite6-((6-(3-(1-((2R,4S,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-(((2-cyanoethoxy)(diisopropylamino)phosphanyl)oxy)tetrahydrofuran-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acrylamido)hexyl)carbamoyl)-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate)FAM-dT AmiditeFluorescein-dT CEPFAM-dT CE PhosphoramiditeFluorescein 2'-deoxy-5'-O-DMT-pseudouridine 3'-CE phosphoramidite(2R,3R,4R,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-((tert-butyldimethylsilyl)oxy)-5-(6-oxo-2-(2-phenoxyacetamido)-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-3-yl methyl diisopropylphosphoramidite6-((6-((E)-3-(1-((2R,4S,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-(((2-cyanoethoxy)(diisopropylamino)phosphanyl)oxy)tetrahydrofuran-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acrylamido)hexyl)carbamoyl)-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate)Propanoic acid, 2,2-dimethyl-, 5-[[[6-[[3-[5-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-deoxy-β-D-erythro-pentofuranosyl]-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl]-1-oxo-2-propenyl]amino]hexyl]amino]carbonyl]-3-oxospiro[isobenzofuran-1(3H),9'-[9H...
物性
構造計算による物性
- XLogP
- 11.9
- 極性表面積
- 278 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 19
- 回転可能結合数
- 33
- 重原子数
- 103
- 形式電荷
- 0
- 複雑度
- 2,930
物理化学的性質
- 酸解離定数(Pka)
- 8.89 · 8.89±0.10(Predicted)
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