CAS No.203120-17-6,(4S,5R,6R)-5-Acetamido-4-guanidino-6-((1R,2R)-2,3-dihydroxy-1-methoxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid Suppliers

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Molecular Structure:
CAS No.:	203120-17-6
Name:	(4S,5R,6R)-5-Acetamido-4-guanidino-6-((1R,2R)-2,3-dihydroxy-1-methoxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid
Article Data:	5

Formula:	C₁₃H₂₂N₄O₇
Molecular Weight:	346.34
Synonyms:	(4S,5R,6R)-5-Acetamido-4-guanidino-6-((1R,2R)-2,3-dihydroxy-1-methoxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid;
Density:	1.61 g/cm³
PSA:	190.71000
LogP:	-0.89050

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Specification

The cas register number of Laninamivir is 203120-17-6. It also can be called as (4S,5R,6R)-5-Acetamido-4-guanidino-6-((1R,2R)-2,3-dihydroxy-1-methoxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid and the Systematic name about this chemical is (2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-2,3-dihydroxy-1-methoxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid. This chemical is a neuraminidase inhibitor which is being researched for the treatment and prophylaxis of Influenzavirus A and Influenzavirus B.

Physical properties about Laninamivir are: (1)ACD/LogP: -2.56; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -5.05; (4)ACD/LogD (pH 7.4): -5.06; (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: 11; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 102.37 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 76.51 cm³; (15)Molar Volume: 214 cm³; (16)Polarizability: 30.33x10^-24cm³; (17)Surface Tension: 64.6 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C=1O[C@@H]([C@H](OC)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](/N=C(\N)N)C=1
(2)InChI: InChI=1/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17)/t6-,7+,9+,10+,11+/m0/s1
(3)InChIKey: QNRRHYPPQFELSF-CNYIRLTGBV
(4)Std. InChI: InChI=1S/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17)/t6-,7+,9+,10+,11+/m0/s1
(5)Std. InChIKey: QNRRHYPPQFELSF-CNYIRLTGSA-N