基本情報
- CAS
148077-18-3- 標準SMILES
O=P(O)(O)OC1[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O- InChIKey
UPHPWXPNZIOZJL-UOTPTPDRSA-N- 分子式
- C6H19O27P7
- 平均分子量
- 740.02 g/mol
- 単同位体質量
- 739.8277043
概要
1-diphospho-1D-myo-inositol 2,3,4,5,6-pentakisphosphate is a myo-inositol pentakisphosphate that consists of myo-inositol having the five phospho groups located at positions 2, 3, 4, 5 and 6 as well as a diphospho group at position 1. It is a myo-inositol pentakisphosphate and a diphosphoinositol polyphosphate. It is functionally related to a myo-inositol. It is a conjugate acid of a 1-diphospho-1D-myo-inositol 2,3,4,5,6-pentakisphosphate(13-).
名称と識別子
- 優先名称
- 1-Diphosinositol pentakisphosphate
- IUPAC
- [(2R,3S,5R,6R)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphono hydrogen phosphate
- 英語名
- 1-diphosphoinositol pentakisphosphate
- 分子式
- C6H19O27P7
- 分子量
- 740.02
名称と別名
1-Diphosinositol pentakisphosphate1-Dpipk148077-18-31-Diphosphoinositol pentakisphosphatePP-IP(5)Diphospho-myo-inositol pentakisphosphate1-diphospho-1D-myo-inositol 2,3,4,5,6-pentakisphosphate1-PP-IP5Diphosphoinositol pentakisphosphateD-myo-Inositol, 2,3,4,5,6-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate)(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate2,3,4,5,6-pentakis-O-phosphono-1D-myo-inositol 1-(trihydrogen diphosphate)
名称をさらに表示
ジホスホイノシトールペンタキスリン酸
(1R,2R,3R,4R,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate1D-myo-inositol 1-diphosphate 2,3,4,5,6-pentakisphosphateO811-(trihydrogen diphosphate)[(2R,3S,5R,6R)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphono hydrogen phosphateCHEMBL4293256SCHEMBL29869445CHEBI:62919
データベース識別子
- CAS
148077-18-3
物性
構造計算による物性
- XLogP
- -11.4
- 極性表面積
- 447 Ų
- 水素結合供与体数
- 13
- 水素結合受容体数
- 27
- 回転可能結合数
- 14
- 重原子数
- 40
- 形式電荷
- 0
- 複雑度
- 1,160
物理化学的性質
- 沸点
- 1246.106 · 1246.106±75.00 °C(Press: 760.00 Torr)(predicted)
- 比重(密度)
- 2.458 · 2.458±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 酸解離定数(Pka)
- 1.406 · 1.406±0.10(predicted)
化学と産業
補足説明
定義ChEBI: A myo-inositol pentakisphosphate that consists of myo-inositol having the five phospho groups located at positions 2, 3, 4, 5 and 6 as well as a diphospho group at position 1.
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