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| CAS No.: | 174575-40-7 |
|---|---|
| Name: | SDZ 220-040 |
| Molecular Structure: | |
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| Formula: | C16H16Cl2NO6P |
| Molecular Weight: | 420.18 |
| Synonyms: | [1,1'-Biphenyl]-3-propanoicacid, a-amino-2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)-,(S)-;SDZ 220-040; |
| Density: | 1.612g/cm3 |
| Boiling Point: | 653.5 °C at 760 mmHg |
| Flash Point: | 349 °C |
| PSA: | 150.89000 |
| LogP: | 3.69840 |
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Specification
The [1,1'-Biphenyl]-3-propanoicacid, a-amino-2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)-,(aS)-, with CAS registry number 174575-40-7, belongs to the following product category: Glutamate receptor. It has the systematic name of (2S)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid. This chemical should be stored at room temperature. And the chemical formula of this chemical is C16H16Cl2NO6P.
Physical properties of [1,1'-Biphenyl]-3-propanoicacid, a-amino-2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)-,(aS)-: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.98; (4)ACD/LogD (pH 7.4): -3.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 84.11 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 96.61 cm3; (15)Molar Volume: 260.5 cm3; (16)Polarizability: 38.3×10-24cm3; (17)Surface Tension: 78 dyne/cm; (18)Density: 1.612 g/cm3; (19)Flash Point: 349 °C; (20)Enthalpy of Vaporization: 101.15 kJ/mol; (21)Boiling Point: 653.5 °C at 760 mmHg; (22)Vapour Pressure: 5.75E-18 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(Cl)ccc2c1cc(c(O)c(c1)CP(=O)(O)O)C[C@@H](C(=O)O)N
(2)InChI: InChI=1/C16H16Cl2NO6P/c17-11-1-2-12(13(18)6-11)8-3-9(5-14(19)16(21)22)15(20)10(4-8)7-26(23,24)25/h1-4,6,14,20H,5,7,19H2,(H,21,22)(H2,23,24,25)/t14-/m0/s1
(3)InChIKey: NYZFUZCCDOSQBG-AWEZNQCLBN
(4)Std. InChI: InChI=1S/C16H16Cl2NO6P/c17-11-1-2-12(13(18)6-11)8-3-9(5-14(19)16(21)22)15(20)10(4-8)7-26(23,24)25/h1-4,6,14,20H,5,7,19H2,(H,21,22)(H2,23,24,25)/t14-/m0/s1
(5)Std. InChIKey: NYZFUZCCDOSQBG-AWEZNQCLSA-N