The L-Tryptophan,N-[[(6-deoxy-a-L-mannopyranosyl)oxy]hydroxyphosphinyl]-L-leucyl-, with the CAS registry number 36357-77-4 and EINECS registry number 252-996-3, is also called N-(N-(((6-Deoxy-α-L-mannopyranosyl)oxy)hydroxyphosphinyl)-L-leucyl)-L-tryptophan. And the molecular formula of the chemical is C23H34N3O10P. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes. And it should be stored at -20°C.
The characteristics of L-Tryptophan,N-[[(6-deoxy-a-L-mannopyranosyl)oxy]hydroxyphosphinyl]-L-leucyl- are as followings: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 3; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 13; (8)#H bond donors: 8; (9)#Freely Rotating Bonds: 13; (10)Polar Surface Area: 137.04 Å2; (11)Index of Refraction: 1.631; (12)Molar Refractivity: 130.9 cm3; (13)Molar Volume: 367 cm3; (14)Polarizability: 51.89×10-24cm3; (15)Surface Tension: 77.4 dyne/cm; (16)Density: 1.48 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NP(=O)(O)O[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C)CC(C)C)Cc3c2ccccc2nc3
(2)InChI: InChI=1/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
(3)InChIKey: ZPHBZEQOLSRPAK-XLCYBJAPBL
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD | intravenous | > 1gm/kg (1000mg/kg) | Journal of Antibiotics. Vol. 26, Pg. 621, 1973. |
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