基本情報
- CAS
3131-60-0- 標準SMILES
Nc1cnn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1- InChIKey
OZQDLJNDRVBCST-SHUUEZRQSA-N- 分子式
- C8H12N4O5
- 平均分子量
- 244.2 g/mol
- 単同位体質量
- 244.0807695
概要
6-azacytidine is a white crystalline powder. (NTP, 1992)
名称と識別子
- 優先名称
- 6-Azacytidine
- IUPAC
- 5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazin-3-one
- 現地名
- 2-(β-D-リボフラノシル)-5-アミノ-1,2,4-トリアジン-3(2H)-オン
- 英語名
- 6-AZACYTIDINE
- 分子式
- C8H12N4O5
- 分子量
- 244.2
名称と別名
6-Azacytidine3131-60-0DTXSID4020117YD42UEH51C5-Amino-2-beta-D-ribofuranosyl-1,2,4-triazin-3(2H)-oneDTXCID40117as-Triazin-3(2H)-one, 5-amino-2-beta-D-ribofuranosyl-NSC-5247671,2,4-Triazin-3(2H)-one, 5-amino-2-beta-D-ribofuranosyl-RefChem:1042315-AMINO-1,2,4-TRIAZIN-3-ONE 2-BETA-D-RIBOFURANOSIDE5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazin-3-one
名称をさらに表示
6-アザシチジン6-アザシトシンリボシド2-(β-D-リボフラノシル)-5-アミノ-1,2,4-トリアジン-3(2H)-オン5-アミノ-2-β-D-リボフラノシル-as-トリアジン-3(2H)-オン5-アミノ-2-(β-D-リボフラノシル)-1,2,4-トリアジン-3(2H)-オン5-アミノ-2-β-D-リボフラノシル-1,2,4-トリアジン-3(2H)-オン5-アミノ-2-[(2R,3R,4S,5R)-3,4-ジヒドロキシ-5-(ヒドロキシメチル)オキソラン-2-イル]-2,3-ジヒドロ-1,2,4-トリアジン-3-オン5-Amino-2-β-D-ribofuranosyl-1,2,4-triazin-3(2H)-one4-triazin-3(2h)-one,5-amino-2-beta-d-ribofuranosyl-21,2,4-Triazin-3(2H)-one, 5-amino-2-β-D-ribofuranosyl-2-(β-D-Ribofuranosyl)-5-amino-1,2,4-triazine-3(2H)-one
物性
構造計算による物性
- XLogP
- -2.5
- 極性表面積
- 141 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 6
- 回転可能結合数
- 2
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 384
実験および物理化学的性質
Physical Description6-azacytidine is a white crystalline powder. (NTP, 1992)
物理化学的性質
- 融点
- 215 °C · 215 °C
- 沸点
- 387.12 °C · 387.12°C (rough estimate)
- 比重(密度)
- 1.4287 · 1.4287 (rough estimate)
- 屈折率
- 1.659 · 1.6590 (estimate)
- 酸解離定数(Pka)
- 13.44 · 13.44±0.70(Predicted)
- EPAの化学物質情報
- 6 · 6-Azacytidine (3131-60-0)
安全と法規制
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to related compounds include nausea, vomiting, diarrhea and mylagia.
Reactive GroupAlcohols and Polyols
Reactivity Profile
6-AZACYTIDINE is an organic compound with both amine and alcohol substituents. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsThis chemical may be light and air sensitive.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全と保護具
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
化学と産業
応用分野
一般的な説明White crystalline powder.
サプライヤー4 社
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