Name: PHOSPHORAMIDON
SKU: 36357-77-4

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Basic Information

Molecular Structure:
CAS No.:	36357-77-4
Name:	PHOSPHORAMIDON

Formula:	C₂₃H₃₄N₃O₁₀P
Molecular Weight:	543.511
Synonyms:	L-Tryptophan,N-[N-[[(6-deoxy-a-L-mannopyranosyl)oxy]hydroxyphosphinyl]-L-leucyl]-;Phosphoramidon;N-(N-(((6-Deoxy-α-L-mannopyranosyl)oxy)hydroxyphosphinyl)-L-leucyl)-L-tryptophan;
EINECS:	252-996-3
Density:	1.48 g/cm³
Solubility:	H₂O: 1 mM Stock solution stable for 1 month at –20° C.
Safety:	22-24/25
PSA:	220.48000
LogP:	1.01040

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Specification

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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Specification