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36357-77-4

Basic Information
CAS No.: 36357-77-4
Name: PHOSPHORAMIDON
Article Data: 2
Molecular Structure:
Molecular Structure of 36357-77-4 (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.