基本情報
- CAS
55612-11-8- 標準SMILES
Cc1cn([C@H]2C[C@@H](O)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O- InChIKey
FZDHVUVGQXVYOP-TWJOJJKGSA-N- 分子式
- C29H28N2O5
- 平均分子量
- 484.5 g/mol
- 単同位体質量
- 484.199822
名称と識別子
- 優先名称
- 1-(2-deoxy-5-O-trityl-beta-D-threopentofuranosyl)thymine
- IUPAC
- 1-[(2R,4R,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- 英語名
- 5'-O-Trityl-2'-deoxy-beta-D-lyxofuranosylthymine
- 分子式
- C29H28N2O5
- 分子量
- 484.54
名称と別名
55612-11-81-(2-deoxy-5-O-trityl-beta-D-threopentofuranosyl)thymineEC 407-120-61-[2-Deoxy-5-O-(triphenylmethyl)-beta-D-threo-pentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidinedione1-(2-Deoxy-5-O-(triphenylmethyl)-beta-D-threo-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedioneRefChem:421954407-120-65'-O-Trityl-3'-b-hydroxythymidine1-((2R,4R,5R)-4-Hydroxy-5-((trityloxy)methyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione1-[(2R,4R,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione1-((2R,4R,5R)-4-hydroxy-5-(trityloxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione1-[2-Deoxy-5-O-(triphenylmethyl)-?-D-threo-pentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidinedione; 1-(2-Deoxy-5-O-trityl-?-D-threo-pentofuranosyl)thymine
名称をさらに表示
5’-O-Trityl-3’-β-hydroxythymidine3′-Uridylic acid, 2′-deoxy-, disodium salt5'-o-trityl-2'-deoxy-β-d-lyxofuranosylthymine5′-O-Trityl-2′-deoxy-β-D-lyxofuranosylthymine1-(2-deoxy-5-O-trityl-β-D-threopentofuranosyl)thymine5′-O-Trityl-2′-deoxy-β-D-lyxofuranosylthymine1-[2-Deoxy-5-O-(triphenylMethyl)-β-D-threo-pentofuranosyl]-5-Methyl-1-[2-Deoxy-5-O-(triphenylmethyl)--D-threo-pentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidinedione2,4(1H,3H)-Pyrimidinedione, 1-[2-deoxy-5-O-(triphenylmethyl)-β-D-threo-pentofuranosyl]-5-methyl-
5'-O-Trityl-2'-deoxy-beta-D-lyxofuranosylthymineSCHEMBL6077816CHEMBL4513515DTXSID609709525'-O-Trityl-3'-?-hydroxythymidineAKOS025402421AC-8905NT06346
データベース識別子
- CAS
55612-11-8- PubChem CID
- 11755083
- DTXSID
DTXSID60970952- ChEMBL
CHEMBL4513515- EC Number
- 407-120-6、633-500-8
- Nikkaji
- J1.607.817D
物性
構造計算による物性
- XLogP
- 3.5
- 極性表面積
- 88.1 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 7
- 重原子数
- 36
- 形式電荷
- 0
- 複雑度
- 765
物理化学的性質
- 融点
- 246 · 246-248 °C(lit.)
- 溶解性
- クロロホルム、ジクロロメタン、メタノール
- 外見
- 個体
- 色
- 白い
- InChIKey
- FZDHVUVGQXVYOP-TWJOJJKGSA-N
- SMILES
- CC1=CN([C@H]2C[C@@H](O)[C@@H](COC(c3ccccc3)(c4ccccc4)c5ccccc5)O2)C(=O)NC1=O
化学的性質
化学的特性White Solid
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
危険有害性情報
Regulatory InformationREACH registered substance: 1-(2-deoxy-5-O-trityl-β-D-threopentofuranosyl)thymine (EC: 407-120-6)
Hazard Classes and Categories
Aquatic Chronic 4 (100%)
Aquatic Chronic 4 (100%)
Hazardous to the aquatic environment (chronic) - category 4
Aquatic Chronic 4
安全データ
- wgk
- 1
- risk_code
- 53
- safety_code
- 61
- Hazard Classifications
- Aquatic Chronic 4
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
使用An intermediate in the preparation of thymidine monophosphate analogues
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化合物ノート
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