Cas no 2831-74-5 (D-myo-Inositol,3-(dihydrogen phosphate))
2831-74-5 structure
Product Name:D-myo-Inositol,3-(dihydrogen phosphate)
CAS No:2831-74-5
MF:C6H13O9P
MW:260.135783910751
CID:255987
PubChem ID:440194
Update Time:2025-04-19
D-myo-Inositol,3-(dihydrogen phosphate) Chemical and Physical Properties
Names and Identifiers
-
- D-myo-Inositol,3-(dihydrogen phosphate)
- 2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione
- (1R,2S,3R,4R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl dihydrogen phosphate
- 1,2,3,4,5,6-cyclohexanehexol, 1-(dihydrogen phosphate), (1α,2α,3α,4β,5α,6β)-
- L-myo-Inositol 1-phosphate
- SCHEMBL9094343
- Inositol 3-monophosphate
- 1L-myo-inositol 1-(dihydrogen phosphate)
- D-myo-inositol 3-phosphate
- {[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid
- SCHEMBL7538
- 1L-myo-inositol 1-phosphate
- 2BBBF2DA-0914-425A-B8C3-DA6A72567B32
- Q27078075
- 1D-myo-inositol 3-monophosphate
- D-myo-Inositol 3-monophosphate
- Myoinositol 3-phosphate
- myo-Inositol-1-phosphate
- Inositol-1-phosphate, myo-
- Inositol 3-phosphate
- 2831-74-5
- myo-Inositol 3-monophosphate
- myo-Inositol 3-phosphate
- C04006
- DTXSID801311864
- CHEBI:18169
- 1D-myo-inositol 3-phosphate
- GTPL5204
- NS00073200
- [(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] dihydrogen phosphate
- LIP
-
- Inchi： 1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1?,2-,3+,4-,5-,6?/m0/s1
- InChI Key： INAPMGSXUVUWAF-LXOASSSBSA-N
- SMILES： P(=O)(O)(O)OC1[C@H]([C@@H](C([C@@H]([C@@H]1O)O)O)O)O
Computed Properties
- Exact Mass: 260.02969
- Monoisotopic Mass: 260.03
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 274
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 168A^2
- XLogP3: -4.8
Experimental Properties
- Density: 2.02±0.1 g/cm3 (20 oC 760 Torr),
- Boiling Point: 517.4oC at 760 mmHg
- Flash Point: 266.7oC
- Refractive Index: 1.65
- Solubility: Soluble (999 g/l) (25 o C),
- PSA: 167.91
- LogP: 1.80630
D-myo-Inositol,3-(dihydrogen phosphate) Related Literature
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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