Cas no 114418-80-3 (1,4,5-IP3)
1,4,5-IP3 structure
Product Name:1,4,5-IP3
CAS No:114418-80-3
MF:C6H15O15P3
MW:420.095586061478
CID:2008875
PubChem ID:11038940
Update Time:2025-04-21
1,4,5-IP3 Chemical and Physical Properties
Names and Identifiers
-
- 1,4,5-IP3
- 1D-myo-inositol 1,4,5-trisphosphate
- D-myo-inositol 1,4,5-tris(dihydrogen phosphate)
- Inositol trisphosphate
- InsP3
- [32P]-Inositol trisphosphate
- [3H]-Inositol trisphosphate
- (1R,2S,3S,4R,5S,6S)-3,5,6-Trihydroxycyclohexane-1,2,4-triyl tris(dihydrogen phosphate)
- 114418-80-3
- CHEMBL90310
-
- Inchi： 1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3-,4+,5+,6-/m0/s1
- InChI Key： MMWCIQZXVOZEGG-NTNHSIQDSA-N
- SMILES： P(=O)(O)(O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)O)O)OP(=O)(O)O)O
Computed Properties
- Exact Mass: 419.96238076Da
- Monoisotopic Mass: 419.96238076Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 574
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -7
- Topological Polar Surface Area: 261?2
1,4,5-IP3 Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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