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CAS No.: | 18375-63-8 |
---|---|
Name: | N-dodecyl-D-gluconamide |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C18H37NO6 |
Molecular Weight: | 363.495 |
Synonyms: | Gluconamide,N-dodecyl-, D- (8CI);N-Dodecyl-D-gluconamide; |
EINECS: | 242-256-8 |
Density: | 1.133g/cm3 |
Melting Point: | 152-154 °C |
Boiling Point: | 649.5 °C at 760 mmHg |
Flash Point: | 346.6 °C |
PSA: | 130.25000 |
LogP: | 0.85030 |
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The D-Gluconamide,N-dodecyl-, with CAS registry number 18375-63-8, has the systematic name of (2R,3S,4R,5R)-N-dodecyl-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name). Besides this, it is also called N-Dodecyl-D-gluconamide. And the chemical formula of this chemical is C18H37NO6. What's more, its EINECS is 242-256-8.
Physical properties of D-Gluconamide,N-dodecyl-: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.59; (5)ACD/BCF (pH 5.5): 54.47; (6)ACD/BCF (pH 7.4): 54.47; (7)ACD/KOC (pH 5.5): 608.61; (8)ACD/KOC (pH 7.4): 608.6; (9)#H bond acceptors: 7; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 66.46 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 96.57 cm3; (15)Molar Volume: 320.6 cm3; (16)Polarizability: 38.28×10-24cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.133 g/cm3; (19)Flash Point: 346.6 °C; (20)Enthalpy of Vaporization: 109.64 kJ/mol; (21)Boiling Point: 649.5 °C at 760 mmHg; (22)Vapour Pressure: 1.29E-19 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCCCCCCCCCCC)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
(2)InChI: InChI=1/C18H37NO6/c1-2-3-4-5-6-7-8-9-10-11-12-19-18(25)17(24)16(23)15(22)14(21)13-20/h14-17,20-24H,2-13H2,1H3,(H,19,25)/t14-,15-,16+,17-/m1/s1
(3)InChIKey: WUTZOLDBWJNAMI-WCXIOVBPBV
(4)Std. InChI: InChI=1S/C18H37NO6/c1-2-3-4-5-6-7-8-9-10-11-12-19-18(25)17(24)16(23)15(22)14(21)13-20/h14-17,20-24H,2-13H2,1H3,(H,19,25)/t14-,15-,16+,17-/m1/s1
(5)Std. InChIKey: WUTZOLDBWJNAMI-WCXIOVBPSA-N