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112747-70-3

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Basic Information
CAS No.: 112747-70-3
Name: GALANIN (1-15) (PORCINE, RAT)
Molecular Structure:
Molecular Structure of 112747-70-3 (GALANIN (1-15) (PORCINE, RAT))
Formula: C72H105N19O20
Molecular Weight: 1556.7194
Synonyms: Galanin (1-15);
Density: 1.339 g/cm3
Boiling Point: 1985.3 °C at 760 mmHg
Flash Point: 1154.5 °C
PSA: 610.18000
LogP: 1.07080
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Specification

The 1-15-Galanin (cattle)(9CI), with the CAS registry number 112747-70-3, is also known as Galanin (1-15). It belongs to the product category of Galanin receptor. This chemical's molecular formula is C72H105N19O20 and molecular weight is 1556.7194.

Physical properties about 1-15-Galanin (cattle)(9CI) are: (1)ACD/LogP: 0.45; (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: 39; (8)#H bond donors: 23; (9)#Freely Rotating Bonds: 48; (10)Polar Surface Area: 384.63 Å2; (11)Index of Refraction: 1.597; (12)Molar Refractivity: 396.51 cm3; (13)Molar Volume: 1162.4 cm3; (14)Surface Tension: 66.4 dyne/cm; (15)Density: 1.339 g/cm3; (16)Flash Point: 1154.5 °C; (17)Enthalpy of Vaporization: 345.3 kJ/mol; (18)Boiling Point: 1985.3 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N[C@H](C(=O)O)C)[C@@H](NC(=O)[C@H]4N(C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)Cc2c1ccccc1nc2)[C@H] (O)C)CC(C)C)CC(=O)N)CO)C)Cc3ccc(O)cc3)CC(C)C)CC(C)C)CCC4)Cc5cncn5

(2) InChI: InChI=1/C72H105N19O20/c1-35(2)21-47(62(100)78-32-59(98)91-20-12-15-55(91)70(108)87-52(26-43-30-75-34-79-43)63(101)81-39(8)72(110)111)84-64(102)48(22-36(3)4)85-66(104)50(24-41-16-18-44(94)19-17-41)83-58(97)31-77-61(99)38(7)80-69(107)54(33-92)89-67(105)53(27-56(74)95)86-65(103)49(23-37(5)6)88-71(109)60(40(9)93)90-68(106)51(82-57(96)28-73)25-42-29-76-46-14-11-10-13-45(42)46/h10-11,13-14,16-19,29-30,34-40,47-55,60,76,92-94H,12,15,20-28,31-33,73H2,1-9H3,(H2,74,95)(H,75,79)(H,77,99)(H,78,100)(H,80,107)(H,81,101)(H,82,96)(H,83,97)(H,84,102)(H,85,104)(H,86,103)(H,87,108)(H,88,109)(H,89,105)(H,90,106)(H,110,111)/t38-,39-,40+,47-,48-,49-,50-,51-,52-,53-,54-,55-,60-/m0/s1
(3) InChIKey: LOXLDVDBPRBBLT-GDRYISODBI