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| CAS No.: | 122341-56-4 |
|---|---|
| Name: | 3-(2'-Spiroadamantane)-4-methoxy-4-(3''-phosphoryloxy)phenyl-1,2-dioxetane |
| Molecular Structure: | |
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| Formula: | C18H23O7P |
| Molecular Weight: | 382.34 |
| Synonyms: | Phenol,3-(4-methoxyspiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.13,7]decan]-4-yl)-,dihydrogen phosphate (9CI);Lumi-PhosPlus;Lumigen PPD;Phenol,3-(4-methoxyspiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.13,7]decan]-4-yl)-,1-(dihydrogen phosphate);Ppd-substrate;4-Methoxy-4-(3-phosphatephenyl)spiro(1,2-dioxetane)-3,2'-adamantane;3-(4-Methoxyspiro(1,2-dioxetane-3,2'-tricyclo(3.3.1.1(3,7))decan)-4-yl)phenyl phosphate;3-(2'-Spiroadamantane)-4-methoxy-4-(3''-phosphoryloxy)phenyl-1,2-dioxetane; |
| EINECS: | 2017-001-1 |
| Density: | 1.475 g/cm3 |
| Boiling Point: | 548.588 °C at 760 mmHg |
| Flash Point: | 285.576 °C |
| Appearance: | White fine crystals |
| PSA: | 104.26000 |
| LogP: | 3.11400 |
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Specification
The AMPPD, with the CAS registry number 122341-56-4, is also known as 3-(2'-Spiroadamantane)-4-methoxy-4-(3''-phosphoryloxy)phenyl-1,2-dioxetane. This chemical's molecular formula is C18H23O7P and molecular weight is 382.34. What's more, its systematic name is 3-(4-Methoxyspiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.13,7]decan]-4-yl)phenyl dihydrogen phosphate. Its classification code is Indicators and reagents. This chemical is chemiluminescent substrate for alkaline phosphatase.
Physical properties of AMPPD are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.57; (4)ACD/LogD (pH 7.4): -2.03; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 104.26 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 90.849 cm3; (15)Molar Volume: 259.232 cm3; (16)Polarizability: 36.015×10-24cm3; (17)Surface Tension: 64.93 dyne/cm; (18)Density: 1.475 g/cm3; (19)Flash Point: 285.576 °C; (20)Enthalpy of Vaporization: 87.156 kJ/mol; (21)Boiling Point: 548.588 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(O)(O)Oc1cccc(c1)C5(OC)OOC25C4CC3CC2CC(C3)C4
(2)Std. InChI: InChI=1S/C18H23O7P/c1-22-18(13-3-2-4-16(10-13)23-26(19,20)21)17(24-25-18)14-6-11-5-12(8-14)9-15(17)7-11/h2-4,10-12,14-15H,5-9H2,1H3,(H2,19,20,21)
(3)Std. InChIKey: XYIPYISRNJUPBA-UHFFFAOYSA-N