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18455-25-9

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Basic Information
CAS No.: 18455-25-9
Name: furanomycin
Molecular Structure:
Molecular Structure of 18455-25-9 (furanomycin)
Formula: C7H11NO3
Molecular Weight: 157.07
Synonyms: 2-Furanaceticacid, a-amino-2,5-dihydro-5-methyl-,(+)- (8CI);(+)-Furanomycin;L-Furanomycin;NSC 116328;
Density: 1.238 g/cm3
Boiling Point: 305.6 °C at 760 mmHg
Flash Point: 138.6 °C
PSA: 72.55000
LogP: 0.44210
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Specification

The L-xylo-Hept-4-enonicacid, 2-amino-3,6-anhydro-2,4,5,7-tetradeoxy-, with the CAS registry number 18455-25-9, is also known as 2-Amino-3,6-anhydro-2,4,5,7-tetradeoxy-L-xylo-hept-4-enonic acid. This chemical's molecular formula is C7H11NO3 and molecular weight is 157.07. What's more, its IUPAC name is called (2S)-2-Amino-2-[(2R,5S)-5-methyl-2,5-dihydrofuran-2-yl]acetic acid. It is an isoleucine analog.

Physical properties about L-xylo-Hept-4-enonicacid, 2-amino-3,6-anhydro-2,4,5,7-tetradeoxy- are: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.79; (4)ACD/LogD (pH 7.4): -2.81; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 38.69 cm3; (15)Molar Volume: 126.9 cm3; (16)Surface Tension: 48.2 dyne/cm; (17)Density: 1.238 g/cm3; (18)Flash Point: 138.6 °C; (19)Enthalpy of Vaporization: 60.06 kJ/mol; (20)Boiling Point: 305.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000186 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](N)[C@@H]\1O[C@H](/C=C/1)C
(2) InChI: InChI=1S/C7H11NO3/c1-4-2-3-5(11-4)6(8)7(9)10/h2-6H,8H2,1H3,(H,9,10)/t4-,5+,6-/m0/s1
(3) InChIKey: PNOKUGWGMLEAPE-JKUQZMGJSA-N