基本情報
- CAS
149714-25-0- 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-KXXVROSKSA-N- 分子式
- C6H19O27P7
- 平均分子量
- 740.02 g/mol
- 単同位体質量
- 739.8277043
概要
5-diphospho-1D-myo-inositol pentakisphosphate is a myo-inositol pentakisphosphate that consists of 1D-myo-inositol having the five phospho groups located at positions 1, 2, 3, 4 and 6 as well as a diphospho group at position 5. It has a role as a human metabolite. It is functionally related to a myo-inositol. It is a conjugate acid of a 5-diphospho-1D-myo-inositol pentakisphosphate(13-).
名称と識別子
- 優先名称
- (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
- IUPAC
- [(2R,3S,5R,6S)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphono hydrogen phosphate
- 英語名
- diphosphoric acid, mono[(1alpha,2beta,3alpha,4alpha,5alpha,6beta)-2,3, 4,5,6-pentakis(phosphonooxy)cyclohexyl] ester
- 分子式
- C6H19O27P7
- 分子量
- 740.02
名称と別名
5-PP-InsP5149714-25-05-diphospho-1D-myo-inositol pentakisphosphate5-Diphosphoinositol pentakisphosphate1D-myo-inositol 5-diphosphate pentakisphosphate(1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate1D-myo-inositol 5-diphosphate 1,2,3,4,6-pentakisphosphate1,2,3,4,6-pentakis-O-phosphono-1D-myo-inositol 5-(trihydrogen diphosphate)Diphosphoinositol pentakisphosphate(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphatePP-InsP5I7P
名称をさらに表示
1-PP-myo-InsP5myo-Inositol, 1,2,3,4,6-pentakis(dihydrogen phosphate) 5-(trihydrogen diphosphate)Myo-inositol, 1,2,3,4,6-pentakis(dihydrogen phosphate) 5-(trihydrogen diphosphate) (9ci)diphosphoric acid, mono[(1alpha,2beta,3alpha,4alpha,5alpha,6beta)-2,3, 4,5,6-pentakis(phosphonooxy)cyclohexyl] ester
InsP75beta-IP75beta 5PP-IP5IP75beta[32P]-IP75PP-IP55beta[32P] 5PP-IP5orb3141999
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
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