InChI: | InChI=1/C7H15NO3/c1-2-3-4-5(8)6(9)7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11)/t5-,6-/m0/s1 |
Specification: |
The (2S,3S)-3-Amino-2-hydroxyheptanoic acid with the CAS number 254438-54-5 is also called Heptanoic acid,3-amino-2-hydroxy-, (2S,3S)-. Its molecular formula is C7H15NO3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0 ; (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: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 83.55 Å2; (11)Index of Refraction: 1.495; (12)Molar Refractivity: 41.03 cm3; (13)Molar Volume: 140.6 cm3; (14)Polarizability: 16.26×10-24cm3; (15)Surface Tension: 49.4 dyne/cm; (16)Enthalpy of Vaporization: 68.23 kJ/mol; (17)Vapour Pressure: 3.99×10-6 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](O)[C@@H](N)CCCC
(2)InChI: InChI=1/C7H15NO3/c1-2-3-4-5(8)6(9)7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11)/t5-,6-/m0/s1
(3)InChIKey: OLXJKXTUQZYCKF-WDSKDSINBQ
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