基本情報
- 標準SMILES
NCCSP(=O)(O)O- InChIKey
RZPNFYXFSHGGBE-UHFFFAOYSA-N- 分子式
- C2H8NO3PS
- 平均分子量
- 157.13 g/mol
- 単同位体質量
- 156.99625075
概要
Cysteamine S-phosphate is an organic thiophosphate that is the S-phospho derivative of cysteamine. It is an organic thiophosphate and a primary amino compound. It is functionally related to a cysteamine. It is a conjugate acid of a cysteamine S-phosphate(1-).
名称と識別子
- 優先名称
- Phosphocysteamine
- IUPAC
- 2-aminoethylsulfanylphosphonic acid
- 英語名
- cysteamine-S-phosphate
- 分子式
- C2H8NO3PS
- 分子量
- 157.13
名称と別名
PhosphocysteamineCysteamine S-phosphate5746-40-7Cysteamine-S-phosphateS-phosphocysteamineUNII-WFH6A9S0V4WFH6A9S0V4NSC 118587NSC-118587PHOSPHOCYSTEAMINE [MI]Phosphorothioic acid, S-(2-aminoethyl) ester2-Aminoethanethiol dihydrogen phosphate (ester)
名称をさらに表示
CHEBI:74951DTXSID40206069PHOSPHOCYSTEAMINE [WHO-DD]2-Aminoethanethiol dihydrogen phosphateETHANETHIOL, 2-AMINO-, 1-(DIHYDROGEN PHOSPHATE)cysteinamine-S-phosphateRefChem:173560DTXCID90128560
データベース識別子
- CAS
5746-40-7- PubChem CID
- 2916
- DTXSID
DTXSID40206069- ChEBI
CHEBI:74951- UNII
- WFH6A9S0V4
- Nikkaji
- J413.114B
物性
構造計算による物性
- XLogP
- -4.4
- 極性表面積
- 109 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 5
- 回転可能結合数
- 3
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 101
物理化学的性質
- 融点
- 156 ° · 156°
- 沸点
- 384.2 · 384.2±44.0 °C(Predicted)
- 比重(密度)
- 1.597 · 1.597±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 2.2 · 2.2, 5.0, 10.3(at 25℃)
化学と産業
薬理情報
MeSH Pharmacological ClassificationDrugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other purposes, e.g. military.
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補足説明
定義ChEBI: An organic thiophosphate that is the S-phospho derivative of cysteamine.
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